data_2heq_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 2heq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.444 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 40.7 m-85 -97.21 133.94 23.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' HD2' HD22 ' A' ' 16' ' ' LEU . 93.7 Cg_endo -84.79 173.87 7.95 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.174 2.583 . . . . 0.0 113.15 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -78.26 135.71 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.339 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.53 -0.32 58.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.258 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.487 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.5 tp -80.27 129.79 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 0.0 110.589 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.26 127.98 33.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.024 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 68' ' ' PRO . 30.2 m -134.32 166.59 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.215 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.6 pt-20 -119.26 148.43 43.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 173.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.464 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 . . . . . 0 CA--C 1.521 -0.14 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HZ2' ' HB2' ' A' ' 35' ' ' LYS . 9.8 mtmp? -120.23 159.22 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.31 -178.95 29.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.115 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -129.54 125.39 36.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 49' ' ' TYR . 67.3 mt -73.92 112.56 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.4 pt -110.35 -24.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 49.0 mm-40 -137.36 159.56 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.487 ' HD2' ' HD1' ' A' ' 49' ' ' TYR . 20.8 m170 -109.38 135.07 51.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.841 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.57 151.15 38.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.904 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -112.28 101.82 10.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -164.85 137.43 4.57 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.76 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.21 -12.67 60.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.83 -37.02 13.19 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.021 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.02 129.46 16.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.56 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.737 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 16.9 m-20 -102.26 -24.51 13.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.078 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CE2' ' HG2' ' A' ' 63' ' ' GLU . 29.2 m-85 -134.09 158.59 43.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 111.597 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -110.55 113.89 26.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 171.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 61' ' ' PHE . 67.4 t -109.81 125.59 66.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -172.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -87.28 109.91 19.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.539 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.59 150.35 47.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.94 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.62 -21.46 62.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.1 p -77.56 -9.05 58.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 111.358 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.85 14.62 36.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.613 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -104.51 117.94 35.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -83.92 118.22 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.923 0.392 . . . . 0.0 110.259 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.3 m -124.06 162.09 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.962 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.74 134.86 47.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 74.7 m-85 -137.98 163.68 30.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 111.322 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.737 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 6.4 ttpm? -114.22 161.5 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.53 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 45.5 mt-10 -53.39 -30.65 41.06 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -75.15 -21.48 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.536 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.529 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mp0 -95.11 -2.31 50.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.407 HD11 HG21 ' A' ' 51' ' ' VAL . 91.2 mt -122.27 150.03 42.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 112.118 -174.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -129.89 121.52 19.95 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.541 175.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HA ' HG11 ' A' ' 18' ' ' VAL . 26.5 Cg_endo -62.71 143.01 91.46 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.53 2.153 . . . . 0.0 113.139 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.135 176.643 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.237 0.44 0 CA-C-O 121.193 0.521 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.475 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 50.4 m-85 -99.09 128.16 32.85 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.18 175.51 11.04 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.913 2.409 . . . . 0.0 112.83 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 139.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.708 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.441 ' HA2' ' HD2' ' A' ' 37' ' ' LYS . . . 94.42 -0.03 65.46 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.824 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -85.73 128.87 34.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.781 0.324 . . . . 0.0 110.497 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 129.49 35.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.792 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 68' ' ' PRO . 30.8 m -136.08 155.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.984 0.421 . . . . 0.0 110.516 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HG3' HD22 ' A' ' 69' ' ' LEU . 33.4 mt-10 -112.73 122.95 49.18 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.444 HG12 ' CE2' ' A' ' 61' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.314 -0.966 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.706 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.7 mtm180 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -91.27 120.48 32.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.09 165.25 24.05 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.276 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 15.9 tppt? -114.04 122.01 45.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.257 -0.472 . . . . 0.0 110.178 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.65 115.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.401 HD12 ' HB2' ' A' ' 52' ' ' SER . 33.3 pt -118.0 -14.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -170.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 38.4 tt0 -156.28 142.09 17.93 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.669 -175.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -96.29 138.83 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.024 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.22 164.15 14.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -122.27 25.61 8.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.322 0.582 . . . . 0.0 109.777 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -77.4 165.25 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.095 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.03 -18.66 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.124 0.488 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 p -86.74 -44.57 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.174 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.411 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 45.2 m-85 -143.28 138.0 29.26 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 1.8 m-20 -102.08 -12.63 17.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.173 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.696 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 64.7 m-85 -130.98 152.66 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.316 . . . . 0.0 111.365 -174.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -117.12 109.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 20' ' ' ILE . 58.9 t -107.69 127.58 63.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -174.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.401 ' HB2' HD12 ' A' ' 39' ' ' ILE . 23.2 t -90.1 109.96 20.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.52 169.11 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.512 . . . . 0.0 111.504 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.53 -11.75 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.514 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -76.8 -22.67 53.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.03 -8.09 55.44 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.854 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.54 153.3 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.62 118.9 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.655 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.455 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.4 m -116.46 139.86 49.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -91.47 135.22 34.0 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 80.8 m-85 -140.08 167.8 21.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.146 0.498 . . . . 0.0 111.126 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 38.6 mttm -104.99 154.32 20.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.696 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.9 pt-20 -62.32 -17.98 60.18 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.646 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -55.39 -34.53 64.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -113.89 28.25 8.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.478 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.38 118.67 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.7 m -99.4 119.39 60.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HA ' HG11 ' A' ' 18' ' ' VAL . 60.4 Cg_endo -72.45 139.2 31.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.409 2.072 . . . . 0.0 112.624 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 19' ' ' GLU . 96.6 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.988 175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.424 0.154 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.626 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 85.4 m-85 -70.11 117.03 50.36 Favored Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HD2' HD21 ' A' ' 16' ' ' LEU . 82.0 Cg_endo -80.31 156.11 22.32 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.493 2.129 . . . . 0.0 112.898 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.0 130.82 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.749 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.12 2.19 51.5 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.748 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.49 HD21 ' HD2' ' A' ' 13' ' ' PRO . 59.5 tp -88.94 136.16 33.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.21 131.52 34.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.136 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 68' ' ' PRO . 34.9 m -138.9 170.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.6 ' HB3' ' HG2' ' A' ' 35' ' ' LYS . 9.7 pt-20 -141.5 158.6 43.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.988 0.423 . . . . 0.0 110.156 170.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.418 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 3.8 mp . . . . . 0 C--N 1.318 -0.799 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.391 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.6 ' HG2' ' HB3' ' A' ' 19' ' ' GLU . 53.7 mttp -102.74 151.66 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 -174.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.64 178.28 36.71 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.757 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -129.67 129.66 44.55 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 HG23 ' A' ' 51' ' ' VAL . 67.3 mt -66.42 128.99 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.291 -178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 52' ' ' SER . 26.1 pt -115.92 -13.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 161.24 24.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.199 0.523 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -98.08 125.46 43.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.88 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 60' ' ' TYR . 52.7 mt -83.24 143.93 30.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.299 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -96.13 18.03 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.783 0.801 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m -98.71 154.68 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.944 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.21 -25.06 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -40.76 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.21 125.9 23.86 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -9.51 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CE1' ' HB2' ' A' ' 12' ' ' TYR . 79.5 m-85 -136.78 144.02 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.984 -177.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.96 111.08 23.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.352 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 HG12 ' A' ' 38' ' ' ILE . 53.1 t -103.57 127.04 57.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.608 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 39' ' ' ILE . 9.6 t -95.63 107.37 19.56 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.719 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.0 m-20 -59.28 158.2 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.849 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.92 -24.95 56.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.641 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -84.2 -2.56 57.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.976 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.27 15.65 43.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.298 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.719 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 2.7 m-20 -83.66 167.38 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.621 0.248 . . . . 0.0 110.528 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.0 mt -132.32 94.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -116.83 141.52 48.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' CD1' HD12 ' A' ' 42' ' ' LEU . 24.9 m-85 -96.23 134.65 39.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.157 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.418 ' CZ ' HG12 ' A' ' 20' ' ' ILE . 50.8 m-85 -141.41 173.91 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.001 0.429 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HG2' ' OE1' ' A' ' 63' ' ' GLU . 54.0 tttp -113.22 159.52 19.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.23 -33.25 27.1 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -177.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -74.11 -27.2 60.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.78 2.28 55.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.87 0.366 . . . . 0.0 111.009 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.07 128.8 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.526 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 m -110.59 117.0 51.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.064 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.53 ' HA ' HG12 ' A' ' 18' ' ' VAL . 37.3 Cg_endo -66.85 137.0 43.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.907 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.497 179.27 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.045 0.45 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.454 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.8 m-85 -97.12 132.11 26.3 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.202 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.8 Cg_exo -75.47 164.36 32.64 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.984 2.456 . . . . 0.0 113.189 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 41' ' ' HIS . 69.4 t -83.61 143.09 12.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.857 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.8 3.45 60.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.942 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -107.05 141.73 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.49 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG13 ' HA ' ' A' ' 68' ' ' PRO . 30.0 m -135.38 148.7 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.226 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -109.62 144.3 38.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.02 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.598 ' HZ2' ' HB3' ' A' ' 35' ' ' LYS . 7.7 ttpm? -126.22 129.9 49.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -136.24 -166.42 10.9 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.22 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.02 134.6 30.07 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.88 119.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 52' ' ' SER . 37.6 pt -114.42 -12.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.57 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.5 tp10 -154.94 149.92 26.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.275 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CE1' HG21 ' A' ' 14' ' ' VAL . 23.4 m170 -103.87 108.46 19.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.788 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.37 124.39 28.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -84.99 80.71 9.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.607 0.718 . . . . 0.0 110.129 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -146.98 177.15 9.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.437 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.5 -9.25 12.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -95.54 -45.59 7.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.252 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.3 122.07 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.48 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -109.62 -11.24 14.79 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -171.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.27 137.87 52.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.142 0.496 . . . . 0.0 111.954 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.02 107.47 18.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.8 t -101.32 122.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.26 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.513 ' HB2' HD12 ' A' ' 39' ' ' ILE . 27.6 t -89.56 103.65 16.28 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.41 161.52 22.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 15.1 pt-20 -73.97 -7.94 54.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.982 0.42 . . . . 0.0 110.545 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.3 p -75.63 -20.77 58.28 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.225 0.535 . . . . 0.0 109.913 169.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.36 -3.05 40.02 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.287 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -88.06 146.36 25.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -104.63 103.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.1 m -114.97 144.5 43.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.03 0.443 . . . . 0.0 110.586 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.62 132.0 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.94 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.14 178.01 7.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.322 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.494 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 57.2 tttp -123.26 161.98 23.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.124 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.86 -35.48 14.77 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -65.51 -44.93 85.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.2 pm0 -91.69 1.9 56.84 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -174.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.72 134.14 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.921 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.7 m -121.77 116.85 30.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.92 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HA ' HG13 ' A' ' 18' ' ' VAL . 59.1 Cg_endo -71.78 141.77 38.06 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.81 2.34 . . . . 0.0 112.728 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.683 178.081 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -116.81 129.78 25.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD2' HD22 ' A' ' 16' ' ' LEU . 72.9 Cg_endo -76.4 173.61 14.2 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.158 2.572 . . . . 0.0 113.966 -173.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -87.71 138.76 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.841 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.14 -5.47 68.35 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.963 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 68' ' ' PRO . 62.5 tp -74.6 130.66 39.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.652 0.263 . . . . 0.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 119.68 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.057 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG13 ' HA ' ' A' ' 68' ' ' PRO . 30.3 m -126.41 146.21 32.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.009 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.493 ' OE2' ' HB ' ' A' ' 67' ' ' THR . 0.7 OUTLIER -102.13 145.97 28.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.469 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.41 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -97.72 123.46 41.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.87 175.6 19.95 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.597 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -128.18 125.6 39.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.82 122.87 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.889 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 52' ' ' SER . 35.7 pt -118.13 -5.68 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 9.8 tp10 -160.73 157.88 27.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -113.14 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.587 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.22 127.53 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.731 0.301 . . . . 0.0 110.952 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -82.99 81.67 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.015 0.912 . . . . 0.0 109.545 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -154.9 178.66 9.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.08 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.74 -0.13 10.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -96.63 -38.51 9.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.9 137.19 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -95.51 -40.14 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.05 0.453 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.454 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 55.7 m-85 -131.07 154.59 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.062 0.458 . . . . 0.0 111.947 -170.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -112.64 115.42 28.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -108.04 136.01 44.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 15.1 t -99.3 104.24 16.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.4 m-20 -70.51 165.94 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.769 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.11 -22.55 66.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.391 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -83.03 -5.65 59.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.86 14.17 55.44 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 1.5 m-20 -81.16 142.45 33.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.683 0.278 . . . . 0.0 110.589 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.67 88.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 167.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -105.66 141.71 36.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.378 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.77 127.67 47.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -134.02 175.77 9.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 62' ' ' LYS . 12.8 mtpp -103.85 173.67 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.624 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.627 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 10.2 pt-20 -49.36 -42.41 41.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.698 -1.137 . . . . 0.0 113.623 -177.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.627 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 94.9 m-70 -94.76 1.71 55.46 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -172.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -93.34 -0.62 56.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.8 mt -125.89 126.93 45.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.611 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.493 ' HB ' ' OE2' ' A' ' 19' ' ' GLU . 93.9 m -109.89 116.88 53.22 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.25 175.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HA ' HG13 ' A' ' 18' ' ' VAL . 22.8 Cg_exo -65.12 129.67 23.59 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 0.0 112.595 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.034 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.939 0.4 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -108.73 101.27 43.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.834 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.57 159.91 50.39 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.105 2.537 . . . . 0.0 112.829 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.3 133.87 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.95 -9.88 51.48 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.1 132.73 39.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 110.316 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.69 124.5 30.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.5 m -136.69 154.26 31.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.376 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.97 156.75 20.06 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.213 -179.062 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.602 0.239 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -118.81 140.54 49.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.95 -174.65 26.02 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.417 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -138.53 133.62 32.84 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.451 HG12 HG23 ' A' ' 51' ' ' VAL . 69.6 mt -72.62 121.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.187 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 pt -110.43 -21.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.689 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 5.0 mm-40 -146.56 148.44 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 111.489 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -101.74 126.09 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.42 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 60' ' ' TYR . 91.0 mt -93.95 -170.79 2.4 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.81 42.39 2.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.552 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 40.7 t -114.55 160.25 19.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.24 -172.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.57 -9.67 20.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.316 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 p -94.27 -51.37 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.205 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.552 ' O ' ' HB3' ' A' ' 44' ' ' SER . 95.0 m-85 -143.94 121.21 11.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.455 ' HA ' ' HB2' ' A' ' 42' ' ' LEU . 21.8 t70 -117.35 3.02 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.145 0.498 . . . . 0.0 112.158 -166.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.547 ' HE1' ' HB3' ' A' ' 63' ' ' GLU . 93.3 m-85 -130.27 143.85 51.02 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.153 -0.342 . . . . 0.0 110.307 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 40' ' ' GLU . . . -108.66 114.86 29.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.451 HG23 HG12 ' A' ' 38' ' ' ILE . 66.7 t -115.4 127.91 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -91.53 111.84 23.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.724 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.7 156.38 39.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.59 -10.16 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 p -78.86 -5.81 54.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.159 0.504 . . . . 0.0 110.194 172.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.97 61.95 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.543 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.84 137.05 37.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -98.15 104.95 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.855 0.36 . . . . 0.0 110.158 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -114.07 148.72 36.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.879 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CD1' HD13 ' A' ' 42' ' ' LEU . 47.1 m-85 -97.49 129.98 44.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.44 171.24 12.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.171 0.51 . . . . 0.0 110.978 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -104.16 162.6 13.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.216 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.547 ' HB3' ' HE1' ' A' ' 49' ' ' TYR . 10.5 pt-20 -59.66 -33.33 71.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -90.36 -12.37 37.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.653 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.89 10.82 14.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.533 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.17 152.13 51.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.581 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.1 m -130.98 120.55 18.42 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 51.4 Cg_endo -69.0 137.86 38.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.106 2.537 . . . . 0.0 112.805 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.089 -175.903 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.89 124.96 38.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.64 0.257 . . . . 0.0 110.425 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.2 Cg_endo -79.6 172.62 14.11 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.081 2.521 . . . . 0.0 113.293 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' CE1' ' A' ' 41' ' ' HIS . 75.1 t -78.46 141.05 15.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.601 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.6 5.37 61.6 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.739 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.507 HD22 ' HD2' ' A' ' 13' ' ' PRO . 43.3 tp -94.55 131.32 40.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -88.46 126.11 35.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.2 m -132.63 154.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.478 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HB3' HD21 ' A' ' 69' ' ' LEU . 17.0 pt-20 -105.64 142.45 35.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.057 0.456 . . . . 0.0 109.883 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' N ' ' A' ' 20' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.51 135.06 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 53' ' ' ASP . . . -143.53 -179.53 20.2 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.699 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -125.57 132.6 52.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.658 0.266 . . . . 0.0 110.452 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.9 mt -70.2 115.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.858 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 pt -106.26 -25.17 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.412 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 10.3 mm-40 -136.34 151.34 49.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.286 -176.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.46 ' CE1' HG23 ' A' ' 14' ' ' VAL . 15.9 m170 -107.12 126.41 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -101.69 34.32 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.875 0.845 . . . . 0.0 109.046 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -81.49 175.85 10.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.778 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.8 -0.3 15.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 m -107.09 -36.77 6.49 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.625 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -138.31 141.33 39.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.725 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.34 -41.02 13.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.794 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.622 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 23.2 m-85 -134.67 163.1 30.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.376 0.608 . . . . 0.0 112.291 -168.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -114.57 116.38 28.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.217 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.11 124.27 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.336 -173.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 t -100.69 111.18 23.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.53 ' HA ' ' HA2' ' A' ' 36' ' ' GLY . 0.8 OUTLIER -78.73 173.11 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.185 0.517 . . . . 0.0 112.169 -173.678 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.22 -29.12 65.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.557 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 -6.01 59.34 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.83 -7.92 57.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.995 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.45 137.56 32.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.359 0.6 . . . . 0.0 111.243 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.11 132.85 52.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.859 -174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.3 m -136.21 144.66 45.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.272 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.449 ' CD1' HD11 ' A' ' 42' ' ' LEU . 33.7 m-85 -87.19 136.93 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -140.02 174.7 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 111.288 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -110.84 165.61 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.443 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.622 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -76.02 5.77 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.112 0.482 . . . . 0.0 111.506 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -95.64 -17.96 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.187 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -110.47 -7.39 14.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.934 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD12 HG21 ' A' ' 18' ' ' VAL . 91.7 mt -105.9 130.03 53.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 111.905 -173.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 m -110.05 119.49 47.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.721 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 18' ' ' VAL . 20.0 Cg_endo -61.0 134.91 55.75 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.537 2.158 . . . . 0.0 112.026 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 19' ' ' GLU . 87.0 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 110.753 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 31.2 m-85 -100.18 130.71 25.45 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.645 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 4.0 Cg_exo -75.32 161.62 37.54 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.977 2.451 . . . . 0.0 112.459 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.5 139.58 19.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.794 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.03 -12.79 60.62 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.985 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.46 121.35 21.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.84 0.352 . . . . 0.0 110.604 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.31 123.59 27.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.084 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.0 m -134.16 153.78 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.961 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.48 139.4 37.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.096 0.474 . . . . 0.0 110.291 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.54 HD12 HG12 ' A' ' 51' ' ' VAL . 2.1 mp . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.916 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.83 119.29 25.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 170.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.35 -175.95 14.13 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.026 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -129.1 131.81 47.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.646 0.26 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 49' ' ' TYR . 74.3 mt -70.81 115.06 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.763 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.98 -16.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.744 0.307 . . . . 0.0 111.387 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 2.2 mm-40 -143.0 134.46 26.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -89.36 95.95 10.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.089 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.53 128.39 35.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -102.05 85.16 2.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.896 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -151.58 -176.4 5.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.758 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.81 -9.29 14.82 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.78 -42.53 9.08 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.411 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -141.3 139.44 33.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.604 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.555 ' OD1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 m-20 -108.43 -14.68 14.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 71.8 m-85 -140.62 143.67 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 111.535 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 40' ' ' GLU . . . -109.83 116.42 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 20' ' ' ILE . 48.4 t -111.1 132.38 59.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.259 -172.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.3 m -90.36 106.25 18.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.73 162.09 29.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 111.446 -173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.73 -14.87 16.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.55 173.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -70.26 -30.99 68.17 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.17 -12.68 16.75 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.046 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -95.3 171.54 8.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.798 0.333 . . . . 0.0 110.5 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 64.0 mt -117.56 117.57 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.58 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m -117.78 147.58 42.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.38 134.26 37.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 77.0 m-85 -142.8 176.34 9.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.239 0.542 . . . . 0.0 110.815 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HE3' ' OD1' ' A' ' 48' ' ' ASP . 31.0 mtpt -116.61 163.31 16.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.882 172.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.659 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 10.4 pt-20 -64.58 -7.8 11.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.997 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -62.58 -29.07 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.534 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -134.02 32.37 3.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 111.553 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -117.08 121.6 41.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.187 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.6 m -114.04 119.68 40.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HA ' HG12 ' A' ' 18' ' ' VAL . 21.4 Cg_exo -65.07 144.2 81.16 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.437 2.091 . . . . 0.0 111.573 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.898 179.274 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 121.049 0.452 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.8 m-85 -115.59 137.79 23.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.308 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.7 Cg_exo -74.5 176.13 10.12 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.886 2.39 . . . . 0.0 112.905 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.59 133.37 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.855 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.19 53.38 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.237 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.07 133.54 33.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.724 0.297 . . . . 0.0 110.398 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.96 132.04 34.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.302 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 68' ' ' PRO . 27.7 m -140.39 147.24 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.392 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.439 ' HG3' HD21 ' A' ' 69' ' ' LEU . 36.6 mt-10 -102.99 144.03 31.8 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' N ' ' A' ' 20' ' ' ILE . 3.1 mp . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.008 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 59.3 mttm -97.5 145.37 26.29 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.513 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.35 -171.75 25.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.084 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.92 140.55 25.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.32 114.46 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 pt -108.04 -12.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.612 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 8.5 tp10 -154.42 154.27 32.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 111.252 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -100.62 137.29 39.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.59 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.57 151.39 48.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 111.252 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -125.19 69.4 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.067 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 46' ' ' THR . 32.7 t -104.14 15.11 29.16 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -175.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.7 -42.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.521 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.543 ' H ' ' C ' ' A' ' 44' ' ' SER . 66.7 p -92.46 -33.05 14.66 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.271 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -127.36 140.51 52.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.499 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -106.99 -17.2 14.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.689 -176.344 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.884 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 78.2 m-85 -139.58 152.59 46.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.911 0.386 . . . . 0.0 111.761 -173.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -104.83 116.37 31.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.9 t -108.19 129.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.191 0.519 . . . . 0.0 111.695 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -94.42 117.18 29.73 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.084 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.37 175.99 1.55 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.679 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -91.84 -13.22 31.75 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -178.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -84.43 -23.13 30.13 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 112.417 -2.174 . . . . 0.0 110.202 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.5 11.83 26.22 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.065 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -90.49 140.19 29.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -106.03 113.05 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -136.9 144.27 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.955 0.407 . . . . 0.0 110.745 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -84.73 138.31 32.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.691 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -137.26 171.81 13.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.619 . . . . 0.0 111.806 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.499 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 9.1 tmtm? -119.71 136.1 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.884 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -67.95 -5.26 16.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -168.359 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -79.45 -27.37 41.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -111.35 24.06 13.28 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.847 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 63' ' ' GLU . 78.4 mt -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.963 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.6 m -124.56 109.3 28.58 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.22 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.509 ' HA ' HG11 ' A' ' 18' ' ' VAL . 31.8 Cg_endo -64.41 151.81 84.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.082 2.521 . . . . 0.0 113.299 -175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 19' ' ' GLU . 90.5 mt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.662 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 33.3 m-85 -92.66 120.59 67.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.495 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.1 Cg_exo -72.08 165.31 32.99 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.064 2.509 . . . . 0.0 112.407 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.85 119.39 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.09 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.3 -6.15 19.19 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.133 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.9 tp -77.99 126.48 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.786 0.327 . . . . 0.0 110.347 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.46 120.26 25.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.548 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 68' ' ' PRO . 35.2 m -130.97 142.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.3 pt-20 -102.15 162.18 13.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.194 0.521 . . . . 0.0 111.014 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 HD11 ' N ' ' A' ' 20' ' ' ILE . 3.9 mp . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.444 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.655 ' HB3' ' OD1' ' A' ' 53' ' ' ASP . 23.5 mmm180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 57.1 mttm -129.58 115.97 18.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.132 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.416 ' CA ' ' HA ' ' A' ' 53' ' ' ASP . . . -126.26 -167.36 12.42 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.01 134.13 38.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.697 0.284 . . . . 0.0 110.239 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.537 HG12 HG23 ' A' ' 51' ' ' VAL . 75.1 mt -76.81 119.46 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.51 -17.56 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 38.4 mt-10 -142.05 154.29 44.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.897 0.38 . . . . 0.0 111.169 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -109.02 126.57 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 134.82 44.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -91.63 84.42 5.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.749 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.1 t -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.916 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.62 -7.18 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.66 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 8.4 p -109.2 -31.91 7.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' A' ' 44' ' ' SER . 28.9 m-85 -133.36 119.64 19.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.522 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.7 m-20 -96.84 -27.37 14.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.627 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.751 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 75.7 m-85 -134.64 153.3 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.224 0.535 . . . . 0.0 112.163 -171.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -107.74 112.51 25.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.025 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 38' ' ' ILE . 59.1 t -110.57 118.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -98.08 114.97 27.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.067 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 20.9 t70 -64.27 160.91 17.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.065 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.3 -24.9 61.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p -73.59 -15.59 61.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.036 0.446 . . . . 0.0 111.386 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.33 43.71 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.989 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.41 113.01 13.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.645 0.259 . . . . 0.0 110.704 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.83 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.879 0.371 . . . . 0.0 110.105 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.52 166.65 14.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.065 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.531 ' CD1' HD13 ' A' ' 42' ' ' LEU . 39.0 m-85 -122.04 130.52 53.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -143.18 -179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.071 0.462 . . . . 0.0 111.492 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HZ2' ' CG ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -105.05 159.11 16.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.538 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.751 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.87 -35.32 70.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -68.96 -29.66 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 0.0 111.539 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.77 10.22 39.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.32 125.51 49.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.8 m -114.76 114.97 44.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HA ' HG13 ' A' ' 18' ' ' VAL . 22.5 Cg_exo -64.11 140.76 73.34 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.619 2.212 . . . . 0.0 112.005 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.712 179.664 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 26.4 m . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.681 0.277 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 97.4 m-85 -96.49 107.23 34.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 11' ' ' SER . 12.1 Cg_exo -70.65 149.38 61.11 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.888 2.392 . . . . 0.0 112.174 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.35 113.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.036 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.87 -6.61 13.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.05 125.92 32.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.768 0.318 . . . . 0.0 110.46 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.83 130.82 36.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.877 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 68' ' ' PRO . 33.7 m -133.47 160.37 42.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.1 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -112.81 148.03 35.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.803 0.335 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.849 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 81.6 tttt -105.58 134.53 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.494 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.49 174.24 22.37 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -129.7 135.68 48.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.869 0.334 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 HG21 ' A' ' 51' ' ' VAL . 44.1 mm -62.23 123.36 14.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 pt -117.66 -17.9 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.056 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -162.04 157.7 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.855 0.36 . . . . 0.0 110.689 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -101.88 129.6 48.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.734 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.47 158.72 16.16 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -119.75 81.06 1.67 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.679 0.752 . . . . 0.0 109.43 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.639 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 41.9 t -141.44 150.3 42.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.032 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -26.06 59.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.369 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -91.58 -43.37 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.246 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.659 ' CD1' ' HA ' ' A' ' 61' ' ' PHE . 37.9 m-85 -140.2 119.92 13.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.588 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.96 5.81 28.57 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.895 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.824 ' HE2' ' HG3' ' A' ' 63' ' ' GLU . 98.9 m-85 -136.36 145.66 45.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.24 0.543 . . . . 0.0 111.917 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.95 111.82 21.74 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.684 HG21 HD12 ' A' ' 38' ' ' ILE . 21.8 t -109.84 154.53 11.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.891 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 p -118.6 117.13 28.13 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.81 149.04 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.876 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.42 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 10.1 pt-20 -64.36 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.197 0.522 . . . . 0.0 110.451 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -81.1 -12.64 59.23 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.37 1.98 41.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.362 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.71 171.08 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.9 mt -118.15 126.78 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.481 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.764 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -106.39 92.3 4.07 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.933 -177.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.9 101.02 13.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.764 ' CE1' HG22 ' A' ' 59' ' ' THR . 85.6 m-85 -142.24 -176.11 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.641 ' HG2' ' OE2' ' A' ' 63' ' ' GLU . 2.5 tttm -114.05 -179.63 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.824 ' HG3' ' HE2' ' A' ' 49' ' ' TYR . 2.6 mp0 -49.67 -36.7 25.82 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.762 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -74.29 -26.32 60.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -93.62 -6.75 45.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.024 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 mt -116.78 146.42 42.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -173.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -137.32 124.05 13.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.177 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.603 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 51.0 Cg_endo -70.47 152.21 65.48 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.059 1.84 . . . . 0.0 112.261 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.222 0.534 . . . . 0.0 110.644 179.858 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.653 ' HD2' ' HH ' ' A' ' 49' ' ' TYR . 95.6 m-85 -100.69 121.18 53.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HD2' HD22 ' A' ' 16' ' ' LEU . 21.9 Cg_exo -65.83 167.11 18.34 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 123.303 2.669 . . . . 0.0 113.165 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.47 133.2 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.17 9.15 58.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.386 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.8 tp -82.19 120.92 25.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.7 122.3 23.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 68' ' ' PRO . 28.1 m -131.97 164.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.146 0.498 . . . . 0.0 111.045 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -123.28 149.92 44.17 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 20' ' ' ILE . 3.5 mp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.691 ' HG2' HD22 ' A' ' 69' ' ' LEU . 3.1 mtmm -118.65 159.67 23.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.056 0.455 . . . . 0.0 111.503 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.5 -168.04 24.87 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.243 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -147.57 128.78 14.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.678 0.275 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.82 118.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.802 HG13 ' HG2' ' A' ' 40' ' ' GLU . 29.6 pt -113.5 -17.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.802 ' HG2' HG13 ' A' ' 39' ' ' ILE . 63.6 mm-40 -131.97 142.88 49.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.125 -174.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -99.27 97.47 8.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.78 111.93 16.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -79.82 77.41 6.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.04 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.4 t -137.51 172.27 13.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.719 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.91 17.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.398 0.618 . . . . 0.0 109.651 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -90.97 -56.55 3.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.748 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -117.18 142.49 46.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.756 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -102.83 -31.22 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.436 . . . . 0.0 110.582 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.653 ' HH ' ' HD2' ' A' ' 12' ' ' TYR . 58.2 m-85 -135.79 151.13 49.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 111.481 -174.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -111.87 116.89 31.39 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.93 130.81 47.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.691 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.463 ' HB2' HD12 ' A' ' 39' ' ' ILE . 29.8 t -89.41 100.51 13.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 4.9 m-20 -60.1 149.96 31.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.74 -27.56 65.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.074 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -81.72 0.68 37.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.722 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.18 -0.26 60.16 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 11.9 m-20 -81.22 169.24 17.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.561 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -134.22 104.85 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.2 m -112.37 137.86 49.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.397 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -89.98 131.49 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.092 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.62 -177.38 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.961 0.41 . . . . 0.0 110.771 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.62 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 31.8 tttp -122.59 168.18 12.48 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 49' ' ' TYR . 8.7 pt-20 -53.0 -35.31 59.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -173.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -100.21 9.85 42.14 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.887 -173.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.62 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 5.7 mp0 -101.89 -11.47 18.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.412 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.11 144.83 43.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.548 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -133.97 120.86 15.45 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.815 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.503 ' HA ' HG13 ' A' ' 18' ' ' VAL . 19.3 Cg_endo -58.64 148.42 82.24 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.777 2.318 . . . . 0.0 112.479 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.691 HD22 ' HG2' ' A' ' 35' ' ' LYS . 85.3 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 110.6 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.076 0.465 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.5 m-85 -94.78 124.81 53.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.006 -175.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 16.0 Cg_exo -68.16 165.24 29.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.053 2.502 . . . . 0.0 112.543 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.71 138.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.266 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.2 55.01 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.15 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 68' ' ' PRO . 52.6 tp -88.63 128.89 35.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 0.0 110.537 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.21 130.28 35.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.404 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 68' ' ' PRO . 20.1 m -136.29 144.53 32.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.494 -176.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -101.71 146.18 28.11 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.479 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 34' ' ' ARG . 30.8 mtp180 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 9.7 mtmp? -103.0 141.6 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.107 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.18 -177.52 15.02 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.358 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 33.4 ttpt -136.63 121.61 18.87 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.98 122.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.014 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.57 -19.48 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 33.5 tt0 -149.09 139.09 22.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.924 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -88.84 117.26 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 50' ' ' ALA . 79.9 mt -85.34 135.55 33.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.586 -176.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -87.62 17.22 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.051 0.453 . . . . 0.0 110.457 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.3 t -84.67 174.05 10.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.118 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.68 -9.83 13.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.39 -39.46 12.66 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.567 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.49 127.46 35.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.82 -31.41 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -133.76 154.02 51.28 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.284 0.564 . . . . 0.0 112.384 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -109.19 115.94 30.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.89 130.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 p -83.85 103.12 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.543 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.27 158.83 8.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.645 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 25.7 tt0 -57.68 -25.38 60.19 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.782 0.433 . . . . 0.0 111.601 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 p -79.93 -9.24 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.033 0.444 . . . . 0.0 111.341 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.24 -3.52 61.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.302 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.35 136.33 36.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.49 0.186 . . . . 0.0 110.583 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.2 109.82 20.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.48 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 5.9 m -116.75 145.25 43.61 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -92.57 133.63 35.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 91.6 m-85 -136.23 171.66 14.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.965 0.412 . . . . 0.0 110.275 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 24.1 mtpp -106.55 -178.09 3.55 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.81 20.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 176.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -92.02 -40.31 11.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.505 ' OE1' ' HB2' ' A' ' 62' ' ' LYS . 16.9 mp0 -82.17 -13.41 57.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.4 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.496 HD13 HG22 ' A' ' 18' ' ' VAL . 60.6 mt -107.07 137.84 44.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.173 0.511 . . . . 0.0 112.128 -171.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -123.5 124.8 26.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.876 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.508 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -64.51 131.9 31.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.167 2.578 . . . . 0.0 112.552 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.475 179.003 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.124 0.487 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.542 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 97.5 m-85 -95.75 109.58 46.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.896 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HD2' HD22 ' A' ' 16' ' ' LEU . 92.8 Cg_endo -80.82 168.13 17.82 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.877 2.385 . . . . 0.0 113.104 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.3 140.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.986 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.22 24.76 35.93 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.172 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.9 tp -107.84 124.33 49.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.67 124.67 30.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 68' ' ' PRO . 26.8 m -133.91 148.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG3' HD21 ' A' ' 69' ' ' LEU . 39.8 mt-10 -97.69 122.67 41.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 2.8 mp . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -100.86 99.15 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.89 -178.59 15.77 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.405 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -130.24 129.56 43.48 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 12' ' ' TYR . 59.8 mt -66.01 132.42 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.222 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -119.8 -30.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.508 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 42.2 tt0 -141.82 143.21 33.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.648 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.76 130.78 39.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -112.5 134.25 54.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 0.0 110.989 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -100.72 89.64 3.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.532 0.682 . . . . 0.0 109.668 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 44.3 t -151.07 -179.52 7.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.425 -175.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.32 4.16 9.72 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 m -120.49 -30.78 4.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.831 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.526 ' O ' ' HB3' ' A' ' 44' ' ' SER . 66.5 m-85 -148.62 115.59 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.642 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.3 m-20 -104.2 -16.61 15.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.731 0.3 . . . . 0.0 111.391 -168.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.774 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 94.7 m-85 -144.18 153.17 41.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -109.72 118.11 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.357 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.9 133.26 58.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -96.64 107.27 19.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.82 148.71 48.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.75 -20.55 35.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.661 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 t -70.54 -17.98 62.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.365 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.99 7.1 33.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.213 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.2 160.87 13.99 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.6 mt -122.65 114.75 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -124.48 142.69 51.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.887 0.375 . . . . 0.0 110.645 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' ' HB3' ' A' ' 47' ' ' TYR . 6.6 m-30 -89.54 140.71 29.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 82.4 m-85 -143.37 175.64 9.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -176.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.642 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 21.4 ttmm -113.51 155.34 25.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.061 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.774 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 8.1 pt-20 -57.96 -19.72 32.5 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.745 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -75.26 -25.91 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.479 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 10.1 mp0 -111.82 30.58 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 91.5 mt -121.31 120.92 36.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 111.539 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -124.73 109.32 28.21 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.518 ' HA ' HG11 ' A' ' 18' ' ' VAL . 31.6 Cg_endo -63.98 144.77 88.72 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.829 2.353 . . . . 0.0 112.848 -177.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD21 ' HG3' ' A' ' 19' ' ' GLU . 80.0 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.643 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.232 0.145 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.862 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 94.8 m-85 -102.53 105.77 45.74 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-O 120.933 0.396 . . . . 0.0 110.28 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.57 166.8 28.28 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.132 2.555 . . . . 0.0 112.27 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.62 129.68 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.85 11.72 49.18 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.126 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -91.32 130.29 37.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.777 0.323 . . . . 0.0 110.224 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.66 120.41 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.038 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 68' ' ' PRO . 29.7 m -129.62 166.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.358 0.599 . . . . 0.0 111.066 -176.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 67' ' ' THR . 15.2 pt-20 -115.19 137.58 51.86 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.939 173.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.707 ' HB ' ' HB3' ' A' ' 34' ' ' ARG . 2.9 mp . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 7.2 tpt180 . . . . . 0 C--O 1.226 -0.177 0 N-CA-C 110.884 -0.043 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -102.22 139.77 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.67 170.97 31.82 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.177 -1.011 . . . . 0.0 113.16 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HB3' ' HG ' ' A' ' 52' ' ' SER . 20.4 tptm -130.37 118.94 21.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.1 mt -74.95 119.88 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.559 0.218 . . . . 0.0 110.602 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.521 HG13 ' HG3' ' A' ' 40' ' ' GLU . 22.0 pt -116.48 -26.15 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.521 ' HG3' HG13 ' A' ' 39' ' ' ILE . 42.3 mt-10 -136.11 153.98 51.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.054 -175.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -113.8 111.13 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.062 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 60' ' ' TYR . 42.7 mt -89.03 -45.23 9.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.42 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 10.5 t-80 68.13 91.99 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.804 0.69 . . . . 0.0 109.746 -171.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.713 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.5 t -157.04 151.18 24.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.468 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.4 -21.36 64.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -108.95 -36.44 6.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.988 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.713 ' O ' ' HB3' ' A' ' 44' ' ' SER . 16.8 p90 -144.5 116.4 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.224 0.535 . . . . 0.0 111.393 -177.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 20.4 m-20 -101.17 -10.71 20.16 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.027 -0.421 . . . . 0.0 111.629 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.737 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 42.2 m-85 -128.81 142.88 50.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -175.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -105.82 123.68 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.72 124.22 71.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.07 -172.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.555 ' HG ' ' HB3' ' A' ' 37' ' ' LYS . 35.9 p -85.22 104.83 15.44 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.18 164.22 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.975 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.8 -16.07 60.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.631 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.3 p -88.51 -7.75 56.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.222 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.94 0.13 66.45 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.1 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.31 150.32 21.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -99.61 112.4 31.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.938 0.399 . . . . 0.0 111.292 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.7 p -101.98 170.99 7.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' HD12 ' A' ' 42' ' ' LEU . 73.5 m-85 -134.27 114.52 13.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.792 0.33 . . . . 0.0 110.196 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.04 174.3 10.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.058 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 34.4 tttp -104.87 164.2 11.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.737 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.0 pt-20 -64.59 -29.37 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -172.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -69.27 -35.18 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.399 0.618 . . . . 0.0 110.208 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.587 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 19.9 mp0 -86.14 8.42 21.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.356 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.9 135.47 55.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.9 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.1 m -135.07 130.67 19.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.862 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 42.9 Cg_endo -67.25 148.47 80.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.269 1.979 . . . . 0.0 112.521 -175.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.442 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.159 0.504 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.491 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 5.7 m-85 -102.51 134.69 19.8 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -176.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD2' HD21 ' A' ' 16' ' ' LEU . 88.7 Cg_endo -85.67 179.66 3.78 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.091 2.527 . . . . 0.0 112.971 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.14 140.68 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.199 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.08 63.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.436 HD21 ' HD2' ' A' ' 13' ' ' PRO . 61.1 tp -91.71 127.51 37.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' HD12 ' A' ' 69' ' ' LEU . . . -81.68 130.64 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG11 ' HA ' ' A' ' 68' ' ' PRO . 25.4 m -139.87 153.19 22.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.588 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 37.3 mt-10 -107.47 149.27 28.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' A' ' 34' ' ' ARG . 2.0 mp . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HB3' HD12 ' A' ' 20' ' ' ILE . 18.2 tpt180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.588 ' HG2' ' HG2' ' A' ' 19' ' ' GLU . 41.4 mttp -100.9 149.8 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.575 0.226 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.69 -172.36 30.05 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.305 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -145.22 138.53 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.537 0.208 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.3 mt -75.18 120.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.49 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 52' ' ' SER . 36.5 pt -121.99 -0.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.88 156.97 25.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 12' ' ' TYR . 89.6 m-70 -108.5 128.7 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.383 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -123.86 169.14 11.88 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -151.07 95.24 2.16 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 170.758 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -142.99 168.95 18.49 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.583 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.36 -8.38 59.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.11 0.481 . . . . 0.0 110.408 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 p -109.55 -36.15 6.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.198 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -158.46 149.84 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 52.4 m-20 -124.47 2.89 8.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.702 0.287 . . . . 0.0 111.46 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 96.5 m-85 -142.92 141.42 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.43 111.18 23.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -106.8 123.91 62.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.734 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.481 ' HB3' HD12 ' A' ' 39' ' ' ILE . 78.2 p -87.3 111.24 20.86 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.03 165.05 2.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.207 0.527 . . . . 0.0 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.22 -11.33 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.305 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -104.22 0.79 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.47 12.6 60.97 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.664 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -87.0 119.06 26.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.87 106.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.812 0.339 . . . . 0.0 110.712 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -120.76 138.66 53.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 5.0 m-85 -97.98 135.53 39.55 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.48 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.76 169.12 18.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.709 ' HG3' ' HA ' ' A' ' 47' ' ' TYR . 59.2 mttm -97.16 156.83 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 169.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.8 pt-20 -60.14 -21.03 61.11 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -70.22 -22.28 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.547 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -99.79 15.3 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -127.37 142.02 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.0 111.355 -175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 25.9 m -116.18 120.68 34.79 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.296 173.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.523 ' HA ' HG11 ' A' ' 18' ' ' VAL . 7.5 Cg_exo -70.65 132.26 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.783 2.322 . . . . 0.0 112.635 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD21 ' HG3' ' A' ' 19' ' ' GLU . 74.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.028 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 89.3 m-85 -107.14 135.21 19.64 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.806 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 5.3 Cg_exo -79.33 173.51 13.15 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.922 2.415 . . . . 0.0 112.915 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.64 134.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.352 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.81 1.44 45.96 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.064 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -82.86 127.25 33.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.735 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.11 123.85 30.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.199 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.8 m -134.52 159.27 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -175.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB3' HD22 ' A' ' 69' ' ' LEU . 11.0 pt-20 -105.64 152.87 22.58 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 169.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.0 mp . . . . . 0 C--N 1.316 -0.863 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -105.1 137.3 43.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.466 . . . . 0.0 110.919 -175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.41 -168.38 14.86 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.007 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -145.44 142.6 29.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.74 112.3 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -97.79 -15.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.436 . . . . 0.0 111.06 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -172.71 150.46 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -105.58 132.48 51.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.458 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.0 mt -91.67 146.41 23.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.556 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -88.35 55.65 3.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 32.4 t -119.85 159.89 23.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.237 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.87 -23.72 18.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 p -87.5 -46.01 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.164 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.488 ' O ' ' HB3' ' A' ' 44' ' ' SER . 78.2 m-85 -135.11 122.04 21.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.476 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -99.13 -9.12 24.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -170.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.721 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 84.7 m-85 -136.67 150.82 48.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.862 -0.524 . . . . 0.0 111.58 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.4 113.15 25.39 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.8 122.35 56.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 p -84.13 104.85 14.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.388 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD1' HG23 ' A' ' 55' ' ' THR . 16.7 t70 -73.39 156.5 38.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.62 -20.48 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 HG23 ' OD1' ' A' ' 53' ' ' ASP . 10.4 t -79.64 -9.82 59.69 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.491 0.186 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.4 18.11 37.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.515 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -104.03 132.33 50.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.02 100.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -105.3 142.71 34.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.923 0.392 . . . . 0.0 110.016 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -94.88 126.37 40.16 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 20' ' ' ILE . 64.0 m-85 -132.97 173.45 11.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.195 0.522 . . . . 0.0 111.356 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 53.4 tttp -120.96 159.36 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.307 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.721 ' HG2' ' HE1' ' A' ' 49' ' ' TYR . 38.0 mt-10 -51.11 -30.36 16.04 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.815 0.34 . . . . 0.0 111.641 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.09 -29.79 61.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -127.69 29.59 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -173.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -130.85 136.33 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.5 m -138.72 127.41 14.08 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.38 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' HG12 ' A' ' 18' ' ' VAL . 18.8 Cg_endo -60.25 145.83 97.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.909 2.406 . . . . 0.0 112.783 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 19' ' ' GLU . 97.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.956 0.407 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.3 m-85 -127.58 134.25 25.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.692 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.5 Cg_exo -71.34 174.29 11.04 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.989 2.46 . . . . 0.0 112.863 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.19 143.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.458 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.54 10.58 70.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.068 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD21 ' HD2' ' A' ' 13' ' ' PRO . 61.0 tp -89.96 123.71 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.668 0.27 . . . . 0.0 110.602 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB1' HD13 ' A' ' 69' ' ' LEU . . . -82.09 130.04 34.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.946 176.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.419 HG13 ' HA ' ' A' ' 68' ' ' PRO . 21.0 m -135.3 153.66 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.26 0.552 . . . . 0.0 112.297 -173.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.6 mm-40 -96.1 120.24 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.605 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.526 HD11 HG13 ' A' ' 51' ' ' VAL . 3.4 mp . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.714 0.293 . . . . 0.0 110.374 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.448 -0.575 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 31.9 mttp -102.36 119.91 39.61 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 172.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.17 -173.67 14.32 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.04 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -134.77 135.13 41.63 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.597 0.237 . . . . 0.0 110.435 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.436 HG22 ' HB3' ' A' ' 49' ' ' TYR . 70.2 mt -72.79 111.37 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.752 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 pt -106.4 -13.87 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.917 0.389 . . . . 0.0 111.371 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 2.0 mm-40 -148.91 141.34 24.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -95.1 128.73 42.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -94.6 179.0 5.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -139.57 33.01 2.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.419 0.628 . . . . 0.0 109.493 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.1 t -96.94 164.29 12.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.07 -14.73 33.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.011 0.434 . . . . 0.0 109.972 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -94.8 -37.89 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -134.12 140.76 46.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.04 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -104.24 -28.83 11.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 0.0 111.189 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.542 ' HE2' ' CB ' ' A' ' 63' ' ' GLU . 49.1 m-85 -136.03 162.64 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 111.404 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -115.96 119.91 37.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 173.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG13 HD11 ' A' ' 20' ' ' ILE . 87.2 t -116.02 130.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -173.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m -94.78 112.32 24.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.11 173.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.23 173.28 11.56 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.648 -175.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.1 mt-10 -55.72 -38.03 69.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.068 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -70.45 -5.37 28.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.243 0.544 . . . . 0.0 110.162 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.72 8.15 83.22 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.551 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.51 139.44 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.567 0.223 . . . . 0.0 110.421 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.19 101.51 12.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.2 m -114.09 143.6 44.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.075 -176.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -93.94 137.78 32.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 78.6 m-85 -139.81 171.44 14.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 23.2 mttm -103.96 162.88 12.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.052 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.542 ' CB ' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.85 -14.73 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.349 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.27 -23.93 37.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.551 -175.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -113.39 19.47 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.625 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 18' ' ' VAL . 85.7 mt -114.71 118.86 34.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.852 0.358 . . . . 0.0 111.002 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -115.05 119.78 38.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.365 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HA ' HG13 ' A' ' 18' ' ' VAL . 42.2 Cg_exo -56.82 136.43 76.38 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.754 2.303 . . . . 0.0 112.082 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD21 ' HG2' ' A' ' 19' ' ' GLU . 61.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.039 0.447 . . . . 0.0 111.287 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -103.22 138.45 19.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HD2' HD21 ' A' ' 16' ' ' LEU . 87.1 Cg_endo -83.57 177.55 6.24 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.957 2.438 . . . . 0.0 112.845 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG23 ' CE1' ' A' ' 41' ' ' HIS . 89.4 t -87.8 139.18 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.5 35.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD21 ' HD2' ' A' ' 13' ' ' PRO . 56.1 tp -107.86 127.77 54.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.495 0.188 . . . . 0.0 110.626 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.68 124.03 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 0.0 110.338 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.4 m -125.59 161.12 30.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.376 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 49.1 mt-10 -102.92 146.92 27.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.806 175.076 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -115.74 120.51 39.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.9 150.5 19.37 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.684 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -112.0 129.77 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.914 0.387 . . . . 0.0 110.455 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.551 HG12 HG22 ' A' ' 51' ' ' VAL . 59.4 mt -74.65 123.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.477 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.9 pt -119.96 -6.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.8 tp10 -150.25 133.72 16.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' CE1' HG23 ' A' ' 14' ' ' VAL . 19.2 m170 -89.06 107.6 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.88 172.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.35 125.04 33.36 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.192 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -85.83 60.85 6.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.617 0.722 . . . . 0.0 110.299 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -128.73 153.55 47.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.872 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.91 -29.79 35.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.053 0.454 . . . . 0.0 109.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 p -73.18 -45.14 58.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.712 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.25 131.82 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.833 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.563 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 4.9 m-20 -101.69 -15.0 17.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.834 0.349 . . . . 0.0 111.259 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -136.83 144.49 43.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.044 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.77 107.85 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 169.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.551 HG22 HG12 ' A' ' 38' ' ' ILE . 46.2 t -104.59 115.88 47.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.741 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 28.5 m -90.64 110.39 21.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.323 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.58 161.58 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.142 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -21.33 64.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 111.488 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -81.5 -9.95 59.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.761 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.19 13.32 33.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.641 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' SER . 7.7 m-20 -86.34 120.27 27.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.0 mt -86.56 100.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.861 0.363 . . . . 0.0 110.314 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 m -112.76 138.61 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.204 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.46 134.6 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -141.05 170.9 14.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.275 0.559 . . . . 0.0 111.681 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 54.1 tttp -115.53 170.63 8.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -17.31 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -81.05 -28.67 35.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.965 0.412 . . . . 0.0 110.951 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -93.28 4.84 53.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.544 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 HD22 HG21 ' A' ' 18' ' ' VAL . 87.5 mt -121.49 122.4 39.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 111.765 -174.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.5 m -117.59 109.08 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.501 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 43.5 Cg_endo -66.81 149.62 83.4 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.988 2.458 . . . . 0.0 114.712 -169.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HG ' ' HG3' ' A' ' 19' ' ' GLU . 29.8 mt . . . . . 0 C--O 1.234 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.494 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB2' ' OH ' ' A' ' 49' ' ' TYR . 68.3 m . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 22.0 m-85 -118.28 132.33 23.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.428 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.0 Cg_endo -81.4 165.9 18.33 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.89 2.394 . . . . 0.0 112.887 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 39' ' ' ILE . 65.5 t -73.16 138.18 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.294 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 -7.12 55.61 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.67 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.18 119.77 22.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.24 123.64 29.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 68' ' ' PRO . 35.5 m -130.77 145.47 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.043 -176.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.577 ' HG2' ' HG3' ' A' ' 35' ' ' LYS . 39.4 mt-10 -94.34 130.47 40.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 20' ' ' ILE . 2.8 mp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.58 . . . . 0.0 110.078 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HG3' ' HG2' ' A' ' 19' ' ' GLU . 2.2 mptp? -99.75 116.34 31.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.11 -171.79 14.03 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.107 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -143.18 133.08 24.07 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -73.66 120.59 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.082 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HA ' HG12 ' A' ' 14' ' ' VAL . 25.7 pt -116.86 -7.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.7 tp10 -156.16 149.03 24.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.422 ' NE2' HG22 ' A' ' 14' ' ' VAL . 89.3 m-70 -99.1 111.78 24.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.34 117.2 24.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -86.17 79.03 9.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.169 172.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 35.5 t -129.1 -175.0 3.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.579 -175.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.05 -0.13 11.17 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 m -118.48 -46.75 2.57 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.381 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' O ' ' HB3' ' A' ' 44' ' ' SER . 48.7 m-85 -117.67 150.43 39.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.642 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.518 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.6 m-20 -112.45 -30.65 7.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.503 ' OH ' ' HB2' ' A' ' 11' ' ' SER . 54.4 m-85 -137.38 146.58 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.41 . . . . 0.0 111.764 -173.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -99.73 114.04 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.46 126.62 69.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p -98.94 115.04 27.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 168.51 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 111.429 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.41 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.4 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -6.33 44.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.97 15.31 70.27 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.736 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -101.04 123.53 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.35 121.35 40.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.02 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 7.2 m -130.13 147.5 51.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.168 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.07 128.26 36.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.534 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 84.4 m-85 -130.33 170.68 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.237 0.541 . . . . 0.0 110.531 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.583 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 55.7 tttp -111.71 164.83 12.6 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.74 -30.93 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -72.92 -22.93 60.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.888 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 6.7 mp0 -98.43 25.39 6.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.291 -173.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.5 mt -135.42 156.24 49.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 111.397 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 90.9 m -142.89 105.05 5.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.428 172.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.53 ' HA ' HG13 ' A' ' 18' ' ' VAL . 17.0 Cg_exo -66.89 149.75 83.12 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.222 2.615 . . . . 0.0 113.545 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.099 176.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.77 147.03 22.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.317 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.78 156.12 8.28 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.162 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -98.53 113.04 63.81 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 121.193 0.521 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -90.53 25.5 0.54 Allowed 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.059 2.506 . . . . 0.0 112.45 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tt -81.83 111.72 28.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.046 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.1 -56.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.805 2.337 . . . . 0.0 111.63 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -163.13 -65.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.497 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -137.55 -73.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.69 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -80.3 112.7 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.4 . . . . 0.0 111.942 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -85.49 -39.76 17.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.424 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 40.7 m-85 -97.21 133.94 23.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' HD2' HD22 ' A' ' 16' ' ' LEU . 93.7 Cg_endo -84.79 173.87 7.95 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.174 2.583 . . . . 0.0 113.15 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -78.26 135.71 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.339 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.53 -0.32 58.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.258 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.487 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.5 tp -80.27 129.79 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 0.0 110.589 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.26 127.98 33.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.024 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 68' ' ' PRO . 30.2 m -134.32 166.59 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.215 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.6 pt-20 -119.26 148.43 43.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 173.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.22 106.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 23' ' ' ASN . 6.7 p30 -73.95 161.56 29.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.937 0.398 . . . . 0.0 110.505 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -78.2 29.91 0.18 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' HB2' ' OD1' ' A' ' 21' ' ' ASN . 58.0 m-80 -101.73 -3.34 28.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.096 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -94.67 19.84 9.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.26 171.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -46.57 -53.52 11.25 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.513 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -97.59 85.38 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.263 0.554 . . . . 0.0 109.755 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.39 -37.65 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 31' ' ' HIS . 80.8 m -136.74 77.85 44.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.41 120.11 7.51 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.762 2.308 . . . . 0.0 112.47 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 63.1 29.61 16.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.974 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 28' ' ' CYS . 38.8 t-80 -120.24 14.35 12.12 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 175.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 24' ' ' ALA . 25.8 m -115.4 151.14 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.766 -176.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.89 12.89 38.8 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -122.62 -171.7 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HZ2' ' HB2' ' A' ' 35' ' ' LYS . 9.8 mtmp? -120.23 159.22 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.31 -178.95 29.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.115 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -129.54 125.39 36.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 49' ' ' TYR . 67.3 mt -73.92 112.56 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.4 pt -110.35 -24.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 49.0 mm-40 -137.36 159.56 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.487 ' HD2' ' HD1' ' A' ' 49' ' ' TYR . 20.8 m170 -109.38 135.07 51.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.841 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.57 151.15 38.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.904 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -112.28 101.82 10.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 t -164.85 137.43 4.57 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.76 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.21 -12.67 60.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.83 -37.02 13.19 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.021 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -146.02 129.46 16.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.56 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.737 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 16.9 m-20 -102.26 -24.51 13.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.078 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.501 ' CE2' ' HG2' ' A' ' 63' ' ' GLU . 29.2 m-85 -134.09 158.59 43.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 111.597 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -110.55 113.89 26.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 171.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 61' ' ' PHE . 67.4 t -109.81 125.59 66.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -172.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -87.28 109.91 19.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.539 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.59 150.35 47.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.94 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.62 -21.46 62.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.1 p -77.56 -9.05 58.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 111.358 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.85 14.62 36.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.613 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -104.51 117.94 35.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -83.92 118.22 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.923 0.392 . . . . 0.0 110.259 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.3 m -124.06 162.09 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.962 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.74 134.86 47.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 74.7 m-85 -137.98 163.68 30.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 111.322 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.737 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 6.4 ttpm? -114.22 161.5 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.53 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 45.5 mt-10 -53.39 -30.65 41.06 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -75.15 -21.48 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.536 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mp0 -95.11 -2.31 50.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.407 HD11 HG21 ' A' ' 51' ' ' VAL . 91.2 mt -122.27 150.03 42.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 112.118 -174.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -129.89 121.52 19.95 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.541 175.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HA ' HG11 ' A' ' 18' ' ' VAL . 26.5 Cg_endo -62.71 143.01 91.46 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.53 2.153 . . . . 0.0 113.139 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.26 152.68 18.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.135 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -126.29 146.59 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.401 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.95 -39.53 38.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.327 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 143.62 -104.9 0.36 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.346 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp 63.6 23.55 13.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 110.787 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.13 -9.73 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.044 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -120.55 1.68 10.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.298 0.571 . . . . 0.0 110.426 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.2 p -93.09 145.99 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.866 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -110.63 95.42 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -112.62 97.98 6.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.806 0.336 . . . . 0.0 110.656 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -149.02 -41.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.908 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -131.02 85.88 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 111.277 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -131.92 127.59 36.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.28 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -115.35 85.05 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.517 0.675 . . . . 0.0 110.637 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.4 m170 61.2 -163.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.178 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.642 -179.453 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.225 0.536 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.27 132.77 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.498 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.52 -102.96 0.87 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.305 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.14 114.29 13.36 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.437 ' HB2' ' H ' ' A' ' 6' ' ' LEU . 53.0 Cg_exo -53.35 -84.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.32 2.68 . . . . 0.0 113.947 -167.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 7.9 tt -168.42 92.76 0.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.865 0.364 . . . . 0.0 110.613 -176.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -82.67 -59.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.842 2.362 . . . . 0.0 109.849 165.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.4 tttm 67.29 9.71 7.18 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.079 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 61.65 -122.88 0.8 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.725 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -138.81 106.48 5.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.969 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -95.86 -24.27 16.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.475 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 50.4 m-85 -99.09 128.16 32.85 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.18 175.51 11.04 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.913 2.409 . . . . 0.0 112.83 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 139.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.708 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.441 ' HA2' ' HD2' ' A' ' 37' ' ' LYS . . . 94.42 -0.03 65.46 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.824 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -85.73 128.87 34.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.781 0.324 . . . . 0.0 110.497 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 129.49 35.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.792 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 68' ' ' PRO . 30.8 m -136.08 155.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.984 0.421 . . . . 0.0 110.516 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HG3' HD22 ' A' ' 69' ' ' LEU . 33.4 mt-10 -112.73 122.95 49.18 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.644 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.0 mp -70.86 151.39 9.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.706 -175.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.872 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 4.8 p30 -128.89 68.4 1.4 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 167.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.602 ' C ' ' H ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -60.02 90.42 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.939 -173.135 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.0 m120 72.05 -30.45 0.21 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 124.287 0.992 . . . . 0.0 109.76 -170.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.872 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . . . 65.31 10.76 6.75 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.212 1.005 . . . . 0.0 112.003 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 25' ' ' ARG . 3.0 tpm_? 46.24 -93.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.018 0.927 . . . . 0.0 111.648 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -165.31 96.58 0.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.19 -6.25 44.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.546 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 p -179.13 103.28 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.963 ' HB2' HG21 ' A' ' 32' ' ' VAL . 40.2 Cg_endo -66.73 132.58 29.07 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.058 1.839 . . . . 0.0 110.075 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -67.01 93.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.898 -174.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.9 t60 74.61 -32.86 0.23 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.768 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.963 HG21 ' HB2' ' A' ' 29' ' ' PRO . 2.6 m -67.53 159.35 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 171.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 20' ' ' ILE . . . 105.86 41.0 1.9 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.012 -173.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.7 mtm180 -80.98 168.48 18.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.018 -0.591 . . . . 0.0 110.093 -177.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -91.27 120.48 32.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.09 165.25 24.05 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.276 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 15.9 tppt? -114.04 122.01 45.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.257 -0.472 . . . . 0.0 110.178 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.65 115.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.401 HD12 ' HB2' ' A' ' 52' ' ' SER . 33.3 pt -118.0 -14.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -170.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 38.4 tt0 -156.28 142.09 17.93 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.669 -175.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -96.29 138.83 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.024 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.22 164.15 14.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -122.27 25.61 8.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.322 0.582 . . . . 0.0 109.777 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -77.4 165.25 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.095 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.03 -18.66 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.124 0.488 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 p -86.74 -44.57 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.174 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.411 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 45.2 m-85 -143.28 138.0 29.26 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.575 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 1.8 m-20 -102.08 -12.63 17.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.173 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.696 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 64.7 m-85 -130.98 152.66 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.316 . . . . 0.0 111.365 -174.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -117.12 109.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 20' ' ' ILE . 58.9 t -107.69 127.58 63.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -174.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.401 ' HB2' HD12 ' A' ' 39' ' ' ILE . 23.2 t -90.1 109.96 20.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.52 169.11 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.512 . . . . 0.0 111.504 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.53 -11.75 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.514 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -76.8 -22.67 53.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.03 -8.09 55.44 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.854 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.54 153.3 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.62 118.9 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.655 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.455 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.4 m -116.46 139.86 49.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -91.47 135.22 34.0 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 80.8 m-85 -140.08 167.8 21.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.146 0.498 . . . . 0.0 111.126 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.575 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 38.6 mttm -104.99 154.32 20.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.696 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.9 pt-20 -62.32 -17.98 60.18 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.646 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -55.39 -34.53 64.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -113.89 28.25 8.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.478 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.38 118.67 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.7 m -99.4 119.39 60.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HA ' HG11 ' A' ' 18' ' ' VAL . 60.4 Cg_endo -72.45 139.2 31.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.409 2.072 . . . . 0.0 112.624 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 19' ' ' GLU . 96.6 mt -98.45 163.74 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.988 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -120.77 124.23 44.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.226 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.98 12.18 3.35 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.31 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.92 59.17 4.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.555 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.96 79.5 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.253 0.549 . . . . 0.0 110.096 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.76 -1.61 22.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.093 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -105.08 0.38 27.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.279 0.561 . . . . 0.0 110.182 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 p -146.33 116.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.98 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt -104.5 167.17 9.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -86.67 22.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.27 0.557 . . . . 0.0 111.136 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -124.85 100.55 6.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.033 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -102.91 -78.88 0.54 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.467 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -92.47 -67.99 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.37 -70.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -109.92 -50.22 3.0 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.3 m170 . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.259 167.533 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 178.09 -70.94 0.01 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.902 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.38 167.26 14.25 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.052 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -118.51 84.56 24.2 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -99.76 5.63 0.86 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.376 2.718 . . . . 0.0 113.881 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.18 156.79 73.66 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.822 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.04 -33.89 96.59 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.582 2.188 . . . . 0.0 111.259 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -135.32 133.48 38.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.74 -55.74 31.18 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.425 0.453 . . . . 0.0 111.253 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -91.33 102.57 15.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -88.45 -41.38 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.782 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.626 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 85.4 m-85 -70.11 117.03 50.36 Favored Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.49 ' HD2' HD21 ' A' ' 16' ' ' LEU . 82.0 Cg_endo -80.31 156.11 22.32 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.493 2.129 . . . . 0.0 112.898 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.0 130.82 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.749 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.12 2.19 51.5 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.748 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.49 HD21 ' HD2' ' A' ' 13' ' ' PRO . 59.5 tp -88.94 136.16 33.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.21 131.52 34.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.136 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 68' ' ' PRO . 34.9 m -138.9 170.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.6 ' HB3' ' HG2' ' A' ' 35' ' ' LYS . 9.7 pt-20 -141.5 158.6 43.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.988 0.423 . . . . 0.0 110.156 170.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.418 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 3.8 mp -88.89 118.66 34.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.391 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -76.51 -177.07 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.306 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -84.75 26.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.863 0.839 . . . . 0.0 111.423 -171.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -90.35 -17.68 26.87 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.191 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 32' ' ' VAL . . . -73.54 6.49 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.051 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -56.62 -37.14 70.29 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 0.0 110.346 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -99.3 109.01 21.68 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.49 -71.03 0.5 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.514 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 30' ' ' HIS . 51.3 m -134.72 76.26 60.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.546 0.212 . . . . 0.0 110.665 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.28 29.57 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.567 2.178 . . . . 0.0 112.275 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 28' ' ' CYS . 2.5 t60 -136.13 22.77 3.26 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.004 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -150.89 18.26 0.78 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.749 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 24' ' ' ALA . 33.3 t -85.82 145.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.6 49.07 62.11 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.815 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -132.06 140.01 48.73 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.6 ' HG2' ' HB3' ' A' ' 19' ' ' GLU . 53.7 mttp -102.74 151.66 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 -174.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.64 178.28 36.71 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.757 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -129.67 129.66 44.55 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 HG23 ' A' ' 51' ' ' VAL . 67.3 mt -66.42 128.99 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.291 -178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 52' ' ' SER . 26.1 pt -115.92 -13.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 161.24 24.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.199 0.523 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -98.08 125.46 43.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.88 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 60' ' ' TYR . 52.7 mt -83.24 143.93 30.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.299 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -96.13 18.03 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.783 0.801 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m -98.71 154.68 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.944 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.21 -25.06 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -40.76 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -137.21 125.9 23.86 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -9.51 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CE1' ' HB2' ' A' ' 12' ' ' TYR . 79.5 m-85 -136.78 144.02 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.984 -177.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.96 111.08 23.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.352 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 HG12 ' A' ' 38' ' ' ILE . 53.1 t -103.57 127.04 57.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.608 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 39' ' ' ILE . 9.6 t -95.63 107.37 19.56 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.719 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.0 m-20 -59.28 158.2 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.849 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.92 -24.95 56.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.641 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -84.2 -2.56 57.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.976 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.27 15.65 43.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.298 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.719 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 2.7 m-20 -83.66 167.38 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.621 0.248 . . . . 0.0 110.528 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.0 mt -132.32 94.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -116.83 141.52 48.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' CD1' HD12 ' A' ' 42' ' ' LEU . 24.9 m-85 -96.23 134.65 39.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.157 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.418 ' CZ ' HG12 ' A' ' 20' ' ' ILE . 50.8 m-85 -141.41 173.91 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.001 0.429 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HG2' ' OE1' ' A' ' 63' ' ' GLU . 54.0 tttp -113.22 159.52 19.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' OE1' ' HG2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -51.23 -33.25 27.1 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -177.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -74.11 -27.2 60.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.78 2.28 55.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.87 0.366 . . . . 0.0 111.009 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.07 128.8 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.526 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 m -110.59 117.0 51.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.064 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.53 ' HA ' HG12 ' A' ' 18' ' ' VAL . 37.3 Cg_endo -66.85 137.0 43.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.907 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -95.45 105.86 17.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.497 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HZ2' ' HB3' ' A' ' 70' ' ' LYS . 7.8 mtpm? -88.17 87.22 7.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.83 95.19 0.73 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.782 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.07 2.54 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.15 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.16 3.44 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.182 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.24 31.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 111.218 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -86.4 -35.66 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -120.7 133.14 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.414 -173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.66 132.68 53.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -29.88 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.571 -172.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -152.27 -168.52 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.508 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 73.56 117.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 124.041 0.838 . . . . 0.0 111.147 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -75.75 95.31 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.56 0.695 . . . . 0.0 110.461 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -104.02 25.7 9.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.229 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -70.59 -17.83 62.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.124 171.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.73 97.7 0.05 OUTLIER 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.776 0.672 . . . . 0.0 110.904 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.95 -15.65 60.81 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.681 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.72 91.86 43.15 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 111.337 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -92.34 84.76 0.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.351 2.7 . . . . 0.0 110.716 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.3 mt -82.39 112.53 37.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.087 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.13 3.92 4.72 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.816 2.344 . . . . 0.0 112.548 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -118.84 9.79 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -143.66 -168.24 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.439 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -105.07 108.53 20.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.154 0.502 . . . . 0.0 111.45 -171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 p -95.68 -29.75 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.37 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.454 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.8 m-85 -97.12 132.11 26.3 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.202 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.8 Cg_exo -75.47 164.36 32.64 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.984 2.456 . . . . 0.0 113.189 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 41' ' ' HIS . 69.4 t -83.61 143.09 12.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.857 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.8 3.45 60.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.942 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -107.05 141.73 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.49 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG13 ' HA ' ' A' ' 68' ' ' PRO . 30.0 m -135.38 148.7 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.226 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -109.62 144.3 38.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp -85.01 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.02 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' C ' ' H ' ' A' ' 23' ' ' ASN . 34.4 m-80 -76.43 170.93 15.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.41 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.69 25.19 0.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.179 0.514 . . . . 0.0 111.807 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 21' ' ' ASN . 2.8 t-20 -94.21 -29.22 15.21 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.147 176.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.8 25.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.582 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -71.67 -6.97 45.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.578 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.2 -33.54 71.84 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.04 -6.67 42.35 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.844 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.6 m -130.65 70.1 82.4 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.55 123.6 10.34 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.555 2.17 . . . . 0.0 112.506 -171.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.6 m80 57.69 31.04 19.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.288 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -133.48 -88.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.363 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.886 HG13 ' H ' ' A' ' 33' ' ' GLY . 3.4 t 59.0 -169.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.886 ' H ' HG13 ' A' ' 32' ' ' VAL . . . 79.71 13.15 82.77 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.152 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -77.15 137.65 39.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' HZ2' ' HB3' ' A' ' 35' ' ' LYS . 7.7 ttpm? -126.22 129.9 49.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -136.24 -166.42 10.9 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.22 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.02 134.6 30.07 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.88 119.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.513 HD12 ' HB2' ' A' ' 52' ' ' SER . 37.6 pt -114.42 -12.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.57 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.5 tp10 -154.94 149.92 26.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.275 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CE1' HG21 ' A' ' 14' ' ' VAL . 23.4 m170 -103.87 108.46 19.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.788 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.37 124.39 28.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -84.99 80.71 9.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.607 0.718 . . . . 0.0 110.129 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -146.98 177.15 9.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.437 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.5 -9.25 12.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -95.54 -45.59 7.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.252 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.3 122.07 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.48 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -109.62 -11.24 14.79 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -171.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.27 137.87 52.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.142 0.496 . . . . 0.0 111.954 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.02 107.47 18.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.8 t -101.32 122.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.26 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.513 ' HB2' HD12 ' A' ' 39' ' ' ILE . 27.6 t -89.56 103.65 16.28 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.41 161.52 22.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 15.1 pt-20 -73.97 -7.94 54.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.982 0.42 . . . . 0.0 110.545 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.3 p -75.63 -20.77 58.28 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.225 0.535 . . . . 0.0 109.913 169.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.36 -3.05 40.02 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.287 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -88.06 146.36 25.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -104.63 103.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.1 m -114.97 144.5 43.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.03 0.443 . . . . 0.0 110.586 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.62 132.0 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.94 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.14 178.01 7.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.322 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.494 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 57.2 tttp -123.26 161.98 23.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.124 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.86 -35.48 14.77 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -65.51 -44.93 85.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.2 pm0 -91.69 1.9 56.84 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -174.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.72 134.14 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.921 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.7 m -121.77 116.85 30.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.92 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HA ' HG13 ' A' ' 18' ' ' VAL . 59.1 Cg_endo -71.78 141.77 38.06 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.81 2.34 . . . . 0.0 112.728 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.614 ' HB3' HD12 ' A' ' 73' ' ' LEU . 97.4 mt -86.7 87.68 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.683 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -98.83 -18.43 17.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.626 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.79 102.61 2.14 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.927 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -50.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.289 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 69' ' ' LEU . 6.8 mp -70.77 -16.04 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 0.0 110.948 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.55 29.37 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.145 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -148.13 83.89 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.37 142.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.645 -175.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.9 101.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.787 ' HG3' ' HB2' ' A' ' 81' ' ' HIS . 4.9 tp10 -87.5 111.76 21.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.834 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 82' ' ' HIS . 9.0 m170 -101.52 -64.73 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -79.16 4.21 15.44 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.787 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 59.9 m-70 -107.63 -3.83 18.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 10.7 t-80 -85.81 106.53 17.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.914 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -118.75 83.76 2.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.298 0.57 . . . . 0.0 109.556 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.278 -0.867 . . . . 0.0 109.094 -174.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.448 0.166 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.63 141.12 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.32 -55.37 0.81 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.506 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -148.98 119.21 4.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.334 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.22 18.77 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.118 2.545 . . . . 0.0 112.474 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.2 mt 70.07 102.49 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.389 0 O-C-N 123.902 0.752 . . . . 0.0 111.588 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.94 -18.95 16.39 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.975 2.45 . . . . 0.0 111.497 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -74.7 115.62 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.77 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -70.18 138.21 51.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.454 ' HE3' ' H ' ' A' ' 10' ' ' TRP . 6.1 m-90 -61.13 158.77 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.16 -26.83 59.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.287 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -116.81 129.78 25.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD2' HD22 ' A' ' 16' ' ' LEU . 72.9 Cg_endo -76.4 173.61 14.2 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.158 2.572 . . . . 0.0 113.966 -173.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -87.71 138.76 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.841 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.14 -5.47 68.35 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.963 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 68' ' ' PRO . 62.5 tp -74.6 130.66 39.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.652 0.263 . . . . 0.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 119.68 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.057 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG13 ' HA ' ' A' ' 68' ' ' PRO . 30.3 m -126.41 146.21 32.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.009 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.493 ' OE2' ' HB ' ' A' ' 67' ' ' THR . 0.7 OUTLIER -102.13 145.97 28.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.469 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.9 mm -71.75 101.25 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.672 ' HB3' ' HG1' ' A' ' 67' ' ' THR . 26.3 p30 -70.33 161.3 30.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.634 0.731 . . . . 0.0 110.999 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' HB3' ' NE ' ' A' ' 25' ' ' ARG . 40.9 m-80 -76.64 24.63 0.15 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.535 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 21' ' ' ASN . 44.8 t30 -96.36 -28.87 14.27 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.535 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.91 -5.75 47.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.309 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' NE ' ' HB3' ' A' ' 22' ' ' ASN . 85.5 mtm180 -61.77 -23.07 65.95 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -87.64 -16.8 33.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.18 -4.5 23.87 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.174 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -164.8 85.7 1.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.47 127.54 23.14 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.146 2.564 . . . . 0.0 113.756 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 m80 54.05 40.47 31.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.333 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -122.97 20.91 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.79 177.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.0 17.52 56.01 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.353 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -104.82 138.59 40.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -97.72 123.46 41.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.87 175.6 19.95 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.597 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -128.18 125.6 39.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.82 122.87 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.889 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 52' ' ' SER . 35.7 pt -118.13 -5.68 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 9.8 tp10 -160.73 157.88 27.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -113.14 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.587 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.22 127.53 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.731 0.301 . . . . 0.0 110.952 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -82.99 81.67 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.015 0.912 . . . . 0.0 109.545 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -154.9 178.66 9.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.08 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.74 -0.13 10.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -96.63 -38.51 9.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.9 137.19 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -95.51 -40.14 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.05 0.453 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.454 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 55.7 m-85 -131.07 154.59 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.062 0.458 . . . . 0.0 111.947 -170.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -112.64 115.42 28.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -108.04 136.01 44.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 15.1 t -99.3 104.24 16.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.4 m-20 -70.51 165.94 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.769 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.11 -22.55 66.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.391 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -83.03 -5.65 59.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.86 14.17 55.44 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 1.5 m-20 -81.16 142.45 33.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.683 0.278 . . . . 0.0 110.589 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.67 88.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 167.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -105.66 141.71 36.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.378 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.77 127.67 47.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -134.02 175.77 9.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 62' ' ' LYS . 12.8 mtpp -103.85 173.67 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.624 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.627 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 10.2 pt-20 -49.36 -42.41 41.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.698 -1.137 . . . . 0.0 113.623 -177.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.627 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 94.9 m-70 -94.76 1.71 55.46 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -172.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -93.34 -0.62 56.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.8 mt -125.89 126.93 45.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.611 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.672 ' HG1' ' HB3' ' A' ' 21' ' ' ASN . 93.9 m -109.89 116.88 53.22 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.25 175.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HA ' HG13 ' A' ' 18' ' ' VAL . 22.8 Cg_exo -65.12 129.67 23.59 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 0.0 112.595 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -74.63 92.42 2.43 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.57 -77.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.114 0.483 . . . . 0.0 110.452 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.57 16.61 51.83 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.544 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.53 -76.75 2.06 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt 67.28 12.0 8.69 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.247 0.619 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.39 79.56 6.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 109.974 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -166.67 -40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.184 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.63 122.52 63.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.353 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -96.78 -74.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.54 84.45 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.72 0.771 . . . . 0.0 110.97 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -120.95 112.84 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.21 -54.28 46.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 -170.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 60.42 87.31 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.12 0.486 . . . . 0.0 111.313 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -132.93 78.88 1.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.267 0.556 . . . . 0.0 110.375 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -136.33 -71.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.239 0.539 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.144 175.092 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.7 146.86 39.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.98 -133.24 7.23 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.08 100.63 37.47 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-O 121.46 0.648 . . . . 0.0 109.989 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -90.15 162.26 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.075 2.517 . . . . 0.0 112.843 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.43 105.6 53.59 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.944 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -87.0 92.55 0.53 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.994 2.463 . . . . 0.0 112.445 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 8' ' ' LYS . 51.5 mmtt -91.07 82.12 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.474 0.654 . . . . 0.0 110.827 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -138.59 -138.36 0.14 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -76.64 85.17 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 171.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -79.99 -12.13 59.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.804 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -108.73 101.27 43.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.834 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.57 159.91 50.39 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.105 2.537 . . . . 0.0 112.829 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.3 133.87 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.95 -9.88 51.48 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.1 132.73 39.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 110.316 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.69 124.5 30.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.5 m -136.69 154.26 31.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.376 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.97 156.75 20.06 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.03 126.47 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.213 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' ASN . 6.2 t-20 -81.58 171.51 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.507 -176.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -80.45 24.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.294 0.569 . . . . 0.0 111.254 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' ASN . 15.8 m120 -115.05 -10.66 12.2 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.676 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.42 9.05 38.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.333 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.544 ' HB2' HG23 ' A' ' 32' ' ' VAL . 3.2 tmt_? -69.95 -32.48 70.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.131 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -74.88 -27.84 60.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.48 -39.0 7.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.093 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -146.93 90.64 5.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.51 147.36 70.63 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.392 2.062 . . . . 0.0 112.112 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.3 t60 66.49 26.76 9.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.852 0.834 . . . . 0.0 110.375 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -129.55 9.9 5.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.465 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 25' ' ' ARG . 53.2 t -82.53 140.45 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.682 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.03 1.2 76.54 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.141 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -76.73 167.52 21.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.602 0.239 . . . . 0.0 110.769 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -118.81 140.54 49.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.95 -174.65 26.02 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.417 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -138.53 133.62 32.84 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.451 HG12 HG23 ' A' ' 51' ' ' VAL . 69.6 mt -72.62 121.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.187 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 pt -110.43 -21.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.689 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 5.0 mm-40 -146.56 148.44 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 111.489 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -101.74 126.09 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.42 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 60' ' ' TYR . 91.0 mt -93.95 -170.79 2.4 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.81 42.39 2.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.552 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 40.7 t -114.55 160.25 19.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.24 -172.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.57 -9.67 20.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.316 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 p -94.27 -51.37 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.205 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.552 ' O ' ' HB3' ' A' ' 44' ' ' SER . 95.0 m-85 -143.94 121.21 11.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.455 ' HA ' ' HB2' ' A' ' 42' ' ' LEU . 21.8 t70 -117.35 3.02 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.145 0.498 . . . . 0.0 112.158 -166.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.547 ' HE1' ' HB3' ' A' ' 63' ' ' GLU . 93.3 m-85 -130.27 143.85 51.02 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.153 -0.342 . . . . 0.0 110.307 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 40' ' ' GLU . . . -108.66 114.86 29.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.451 HG23 HG12 ' A' ' 38' ' ' ILE . 66.7 t -115.4 127.91 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -91.53 111.84 23.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.724 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.7 156.38 39.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -66.59 -10.16 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 p -78.86 -5.81 54.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.159 0.504 . . . . 0.0 110.194 172.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.97 61.95 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.543 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.84 137.05 37.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -98.15 104.95 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.855 0.36 . . . . 0.0 110.158 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -114.07 148.72 36.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.879 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CD1' HD13 ' A' ' 42' ' ' LEU . 47.1 m-85 -97.49 129.98 44.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.44 171.24 12.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.171 0.51 . . . . 0.0 110.978 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -104.16 162.6 13.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.216 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.547 ' HB3' ' HE1' ' A' ' 49' ' ' TYR . 10.5 pt-20 -59.66 -33.33 71.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -90.36 -12.37 37.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.653 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.89 10.82 14.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.533 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.17 152.13 51.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.581 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.1 m -130.98 120.55 18.42 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 51.4 Cg_endo -69.0 137.86 38.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.106 2.537 . . . . 0.0 112.805 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.02 85.45 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.089 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 69.94 -30.76 0.2 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.73 -50.53 19.64 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 114.184 0.434 . . . . 0.0 114.184 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.49 18.69 55.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.143 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.45 -44.26 3.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.601 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.3 27.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.085 0.469 . . . . 0.0 111.126 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -80.01 -34.58 38.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.58 129.68 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.091 0.472 . . . . 0.0 111.296 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.6 mt -129.54 94.06 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -144.42 -61.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -79.7 45.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -69.48 -24.35 63.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -146.51 162.2 38.83 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -84.42 120.78 26.68 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.52 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -131.38 111.37 11.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.659 178.191 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mmm . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.497 0.189 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.64 94.12 4.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.79 0.328 . . . . 0.0 110.982 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.05 -149.78 6.58 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.875 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.68 100.44 53.42 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.649 0.737 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 1.47 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.704 2.269 . . . . 0.0 111.649 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp 59.63 88.35 0.12 Allowed Pre-proline 0 N--CA 1.462 0.148 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.517 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.36 95.21 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.398 2.065 . . . . 0.0 110.535 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 16.5 ptpt -61.27 131.97 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.412 0.625 . . . . 0.0 110.99 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -86.13 6.95 26.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.376 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -122.73 111.55 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.486 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t -81.21 -29.12 34.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.345 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.89 124.96 38.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.64 0.257 . . . . 0.0 110.425 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.2 Cg_endo -79.6 172.62 14.11 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.081 2.521 . . . . 0.0 113.293 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' CE1' ' A' ' 41' ' ' HIS . 75.1 t -78.46 141.05 15.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.601 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.6 5.37 61.6 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.739 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.507 HD22 ' HD2' ' A' ' 13' ' ' PRO . 43.3 tp -94.55 131.32 40.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB3' HD13 ' A' ' 69' ' ' LEU . . . -88.46 126.11 35.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.2 m -132.63 154.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.478 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HB3' HD21 ' A' ' 69' ' ' LEU . 17.0 pt-20 -105.64 142.45 35.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.057 0.456 . . . . 0.0 109.883 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' N ' ' A' ' 20' ' ' ILE . 4.2 mp -92.25 117.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -176.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 23' ' ' ASN . 42.9 m-80 -72.72 156.68 38.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.659 ' HA ' ' HB ' ' A' ' 32' ' ' VAL . 3.7 p-10 -77.52 23.71 0.22 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.438 0.637 . . . . 0.0 111.569 -177.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.6 t30 -95.64 -15.58 22.63 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.225 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.38 31.19 0.66 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.768 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -59.88 -26.61 66.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.407 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -90.49 -11.86 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.156 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.49 -58.09 2.79 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.497 ' HB2' HG23 ' A' ' 59' ' ' THR . 20.9 m -166.84 103.79 0.65 Allowed Pre-proline 0 CA--C 1.516 -0.338 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.21 167.14 25.87 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.114 1.876 . . . . 0.0 111.03 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.8 m80 64.5 24.93 13.2 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -143.96 5.34 1.32 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.659 ' HB ' ' HA ' ' A' ' 22' ' ' ASN . 24.0 m -98.61 146.4 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.69 31.59 39.96 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -125.54 170.86 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.51 135.06 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 53' ' ' ASP . . . -143.53 -179.53 20.2 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.699 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -125.57 132.6 52.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.658 0.266 . . . . 0.0 110.452 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.9 mt -70.2 115.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.858 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 pt -106.26 -25.17 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.412 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 10.3 mm-40 -136.34 151.34 49.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.286 -176.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.46 ' CE1' HG23 ' A' ' 14' ' ' VAL . 15.9 m170 -107.12 126.41 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -101.69 34.32 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.875 0.845 . . . . 0.0 109.046 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -81.49 175.85 10.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.778 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.8 -0.3 15.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 m -107.09 -36.77 6.49 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.625 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -138.31 141.33 39.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.725 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.34 -41.02 13.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.794 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.622 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 23.2 m-85 -134.67 163.1 30.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.376 0.608 . . . . 0.0 112.291 -168.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -114.57 116.38 28.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.217 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.11 124.27 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.336 -173.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 t -100.69 111.18 23.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' HA ' ' HA2' ' A' ' 36' ' ' GLY . 0.8 OUTLIER -78.73 173.11 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.185 0.517 . . . . 0.0 112.169 -173.678 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.22 -29.12 65.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.557 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 -6.01 59.34 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.83 -7.92 57.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.995 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.45 137.56 32.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.359 0.6 . . . . 0.0 111.243 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.11 132.85 52.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.859 -174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.497 HG23 ' HB2' ' A' ' 28' ' ' CYS . 43.3 m -136.21 144.66 45.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.272 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' CD1' HD11 ' A' ' 42' ' ' LEU . 33.7 m-85 -87.19 136.93 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -140.02 174.7 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 111.288 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -110.84 165.61 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.443 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.622 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -76.02 5.77 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.112 0.482 . . . . 0.0 111.506 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -95.64 -17.96 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.187 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -110.47 -7.39 14.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.934 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD12 HG21 ' A' ' 18' ' ' VAL . 91.7 mt -105.9 130.03 53.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 111.905 -173.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 m -110.05 119.49 47.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.721 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HA ' HG12 ' A' ' 18' ' ' VAL . 20.0 Cg_endo -61.0 134.91 55.75 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.537 2.158 . . . . 0.0 112.026 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 19' ' ' GLU . 87.0 mt -79.72 169.36 18.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 110.753 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -80.22 140.2 36.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.489 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.62 77.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.733 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.63 -71.15 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.592 -0.814 . . . . 0.0 113.352 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.61 -6.62 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.87 100.75 11.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.448 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.6 t80 73.92 91.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.545 1.153 . . . . 0.0 111.27 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.22 102.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.342 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -125.31 106.31 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.421 . . . . 0.0 110.941 -172.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' H ' ' A' ' 79' ' ' HIS . 0.4 OUTLIER -155.64 -160.05 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 169.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.422 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 41.2 t-80 -70.57 100.29 1.79 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 111.795 -170.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' HB2' ' C ' ' A' ' 84' ' ' HIS . 94.9 m-70 -126.65 143.37 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.909 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -105.62 92.16 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.361 0.6 . . . . 0.0 109.94 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -173.79 -67.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.366 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -155.26 31.83 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.328 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 64.0 m170 . . . . . 0 C--O 1.239 0.527 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.472 -157.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.485 ' SD ' ' HA ' ' A' ' 5' ' ' PRO . 26.3 ttt . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.93 -71.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.313 . . . . 0.0 110.526 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.08 -92.5 0.64 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -103.92 119.51 54.2 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.485 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 35.5 Cg_exo -57.08 131.7 46.97 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.277 2.651 . . . . 0.0 113.386 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.94 157.33 66.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.345 175.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.2 100.41 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.643 2.229 . . . . 0.0 112.258 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -90.43 135.7 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.523 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -117.22 -173.05 2.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -101.45 139.92 36.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.87 0.367 . . . . 0.0 110.626 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -82.45 -38.34 24.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.291 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 31.2 m-85 -100.18 130.71 25.45 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.645 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 4.0 Cg_exo -75.32 161.62 37.54 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.977 2.451 . . . . 0.0 112.459 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.5 139.58 19.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.794 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.03 -12.79 60.62 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.985 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.46 121.35 21.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.84 0.352 . . . . 0.0 110.604 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.31 123.59 27.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.084 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.0 m -134.16 153.78 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.961 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.48 139.4 37.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.096 0.474 . . . . 0.0 110.291 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.54 HD12 HG12 ' A' ' 51' ' ' VAL . 2.1 mp -82.41 135.22 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.916 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -121.09 27.94 8.15 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.61 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 2.9 t-20 -54.24 89.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 124.809 1.318 . . . . 0.0 111.056 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 75.69 7.49 3.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.831 -1.532 . . . . 0.0 110.204 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 28' ' ' CYS . . . -75.86 -60.83 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.246 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -80.41 13.43 2.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.501 0.667 . . . . 0.0 110.682 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -167.72 82.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.427 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.78 -66.42 0.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.473 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 24' ' ' ALA . 74.5 m -137.57 98.17 10.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.86 31.31 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.689 2.259 . . . . 0.0 112.978 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 28' ' ' CYS . 6.7 t60 -178.19 94.55 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.328 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -171.65 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.524 0.678 . . . . 0.0 109.263 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 24' ' ' ALA . 17.0 m -106.14 -154.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.384 172.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.5 63.4 0.25 Allowed Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.409 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 122.35 45.99 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.369 -0.415 . . . . 0.0 110.201 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.83 119.29 25.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 170.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.35 -175.95 14.13 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.026 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -129.1 131.81 47.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.646 0.26 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 49' ' ' TYR . 74.3 mt -70.81 115.06 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.763 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.98 -16.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.744 0.307 . . . . 0.0 111.387 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' HB2' ' HB1' ' A' ' 50' ' ' ALA . 2.2 mm-40 -143.0 134.46 26.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -89.36 95.95 10.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.089 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.53 128.39 35.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -102.05 85.16 2.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.896 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -151.58 -176.4 5.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.758 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.81 -9.29 14.82 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.78 -42.53 9.08 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.411 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -141.3 139.44 33.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.604 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.555 ' OD1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 m-20 -108.43 -14.68 14.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 71.8 m-85 -140.62 143.67 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 111.535 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 40' ' ' GLU . . . -109.83 116.42 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 20' ' ' ILE . 48.4 t -111.1 132.38 59.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.259 -172.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.3 m -90.36 106.25 18.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.73 162.09 29.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 111.446 -173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.73 -14.87 16.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.55 173.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -70.26 -30.99 68.17 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.17 -12.68 16.75 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.046 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -95.3 171.54 8.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.798 0.333 . . . . 0.0 110.5 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 64.0 mt -117.56 117.57 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.58 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m -117.78 147.58 42.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.38 134.26 37.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 77.0 m-85 -142.8 176.34 9.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.239 0.542 . . . . 0.0 110.815 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HE3' ' OD1' ' A' ' 48' ' ' ASP . 31.0 mtpt -116.61 163.31 16.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.882 172.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.659 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 10.4 pt-20 -64.58 -7.8 11.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.997 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -62.58 -29.07 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.534 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.61 ' OE1' ' HA ' ' A' ' 22' ' ' ASN . 5.7 mt-10 -134.02 32.37 3.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 111.553 -173.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -117.08 121.6 41.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.187 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.6 m -114.04 119.68 40.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HA ' HG12 ' A' ' 18' ' ' VAL . 21.4 Cg_exo -65.07 144.2 81.16 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.437 2.091 . . . . 0.0 111.573 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -70.08 170.01 12.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.898 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.663 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -68.59 -35.6 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.354 -174.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.5 -70.25 2.22 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.341 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.1 148.96 19.08 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 tp -137.19 31.11 2.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.563 0.697 . . . . 0.0 109.76 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 2.35 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.293 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.84 -36.69 42.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.899 0.381 . . . . 0.0 110.094 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 77' ' ' LEU . 7.2 p -97.79 -54.54 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.527 -177.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' N ' HG13 ' A' ' 76' ' ' VAL . 93.7 mt 41.14 -108.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.234 0.613 . . . . 0.0 111.549 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' HG3' ' HB2' ' A' ' 81' ' ' HIS . 25.9 tt0 -162.83 97.49 0.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.46 -69.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.694 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -106.52 -47.56 3.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.518 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 9.6 t-80 62.52 33.03 16.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.532 175.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -83.46 77.61 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -153.75 104.97 2.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.679 176.653 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.547 0.213 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.62 98.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.136 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.61 -47.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.48 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 20.9 t70 -77.03 136.13 66.37 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 21.1 Cg_exo -65.44 85.62 0.21 Allowed 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.736 2.29 . . . . 0.0 113.164 -177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.38 78.64 32.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -89.68 47.4 0.94 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.008 2.472 . . . . 0.0 112.92 -175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -129.72 110.69 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HD1' ' O ' ' A' ' 10' ' ' TRP . 45.4 p90 -128.93 166.85 18.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.384 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.458 ' O ' ' HD1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -104.38 174.52 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.256 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -58.3 -38.55 77.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 110.621 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.8 m-85 -115.59 137.79 23.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.308 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.7 Cg_exo -74.5 176.13 10.12 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.886 2.39 . . . . 0.0 112.905 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.59 133.37 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.855 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.19 53.38 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.237 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.07 133.54 33.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.724 0.297 . . . . 0.0 110.398 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.96 132.04 34.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.302 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 68' ' ' PRO . 27.7 m -140.39 147.24 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.392 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.439 ' HG3' HD21 ' A' ' 69' ' ' LEU . 36.6 mt-10 -102.99 144.03 31.8 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 HD11 ' N ' ' A' ' 20' ' ' ILE . 3.1 mp -82.12 128.18 38.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.008 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.59 23.23 4.0 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.623 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 27.6 t-20 -61.92 88.06 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.87 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 29' ' ' PRO . 0.2 OUTLIER 87.05 31.14 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.318 175.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . . . -56.59 96.99 0.02 OUTLIER 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.461 172.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.69 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . 26.5 ttt85 -85.51 93.36 8.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.817 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 59.04 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.478 0.711 . . . . 0.0 112.029 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.51 25.09 2.0 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 p -169.69 76.35 0.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.654 0.74 . . . . 0.0 109.281 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.773 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 6.2 Cg_exo -80.01 -146.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.666 2.91 . . . . 0.0 111.224 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -78.8 45.81 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 61.3 20.23 10.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.87 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 29' ' ' PRO . 26.0 m -86.91 -164.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.16 29.75 16.42 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -167.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -100.49 156.16 17.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.926 -1.137 . . . . 0.0 108.867 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 59.3 mttm -97.5 145.37 26.29 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.513 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.35 -171.75 25.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.084 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.92 140.55 25.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.8 mt -76.32 114.46 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 178.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 pt -108.04 -12.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.612 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 8.5 tp10 -154.42 154.27 32.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 111.252 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -100.62 137.29 39.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.59 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.57 151.39 48.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 111.252 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -125.19 69.4 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.067 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 46' ' ' THR . 32.7 t -104.14 15.11 29.16 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -175.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.7 -42.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.521 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.543 ' H ' ' C ' ' A' ' 44' ' ' SER . 66.7 p -92.46 -33.05 14.66 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.271 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -127.36 140.51 52.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.499 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -106.99 -17.2 14.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.689 -176.344 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.884 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 78.2 m-85 -139.58 152.59 46.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.911 0.386 . . . . 0.0 111.761 -173.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -104.83 116.37 31.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.9 t -108.19 129.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.191 0.519 . . . . 0.0 111.695 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -94.42 117.18 29.73 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.084 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -65.37 175.99 1.55 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.679 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -91.84 -13.22 31.75 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -178.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -84.43 -23.13 30.13 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 112.417 -2.174 . . . . 0.0 110.202 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.5 11.83 26.22 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.065 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -90.49 140.19 29.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -106.03 113.05 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -136.9 144.27 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.955 0.407 . . . . 0.0 110.745 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -84.73 138.31 32.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.691 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -137.26 171.81 13.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.619 . . . . 0.0 111.806 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.499 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 9.1 tmtm? -119.71 136.1 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.884 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -67.95 -5.26 16.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -168.359 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -79.45 -27.37 41.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.623 ' HB3' ' HA ' ' A' ' 22' ' ' ASN . 8.8 mp0 -111.35 24.06 13.28 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.847 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 63' ' ' GLU . 78.4 mt -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.963 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.6 m -124.56 109.3 28.58 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.22 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.509 ' HA ' HG11 ' A' ' 18' ' ' VAL . 31.8 Cg_endo -64.41 151.81 84.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.082 2.521 . . . . 0.0 113.299 -175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 19' ' ' GLU . 90.5 mt -103.23 117.2 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.662 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -122.94 44.1 2.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.709 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.15 95.33 0.84 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.263 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.76 49.74 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -94.46 -54.55 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.47 16.62 24.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.423 0.63 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.562 ' HE2' HD21 ' A' ' 77' ' ' LEU . 82.5 t80 -151.07 99.48 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.105 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.8 124.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.403 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD21 ' HE2' ' A' ' 75' ' ' TYR . 49.5 tp -154.54 154.02 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.9 -176.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.72 143.85 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.281 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -118.39 -72.88 0.67 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -143.8 105.52 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -68.54 161.74 27.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.544 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -59.93 119.11 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.603 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -94.94 17.66 13.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.524 0.678 . . . . 0.0 109.744 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.658 -0.686 . . . . 0.0 110.277 -177.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.108 0.48 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.13 113.9 20.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.095 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.32 -32.89 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.134 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -124.5 106.8 29.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.708 0.289 . . . . 0.0 110.335 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -91.88 -163.18 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.133 2.555 . . . . 0.0 112.379 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.66 145.98 33.27 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.68 122.34 10.88 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 112.034 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.84 15.21 20.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.523 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -130.36 150.83 51.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.782 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -60.52 123.36 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.587 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -94.95 -19.39 20.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.068 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.434 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 33.3 m-85 -92.66 120.59 67.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.495 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.1 Cg_exo -72.08 165.31 32.99 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.064 2.509 . . . . 0.0 112.407 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.85 119.39 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.09 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.3 -6.15 19.19 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.133 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.9 tp -77.99 126.48 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.786 0.327 . . . . 0.0 110.347 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.46 120.26 25.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.548 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 68' ' ' PRO . 35.2 m -130.97 142.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.3 pt-20 -102.15 162.18 13.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.194 0.521 . . . . 0.0 111.014 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 HD11 ' N ' ' A' ' 20' ' ' ILE . 3.9 mp -95.37 107.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.444 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.72 168.0 17.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.477 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 3.9 m-20 -79.17 31.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -101.97 -24.4 14.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.979 0.419 . . . . 0.0 109.894 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.73 22.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.331 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -58.38 -43.25 88.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.634 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -94.08 105.9 17.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.57 -42.9 1.04 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 t -151.01 87.19 4.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.986 0.422 . . . . 0.0 109.874 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -74.32 154.24 45.91 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.562 2.175 . . . . 0.0 112.118 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t60 64.63 25.13 13.09 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.798 0.809 . . . . 0.0 110.162 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -144.6 15.04 1.6 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.523 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 38.2 t -89.3 135.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.954 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.57 72.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.64 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.655 ' HB3' ' OD1' ' A' ' 53' ' ' ASP . 23.5 mmm180 -85.67 159.54 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 57.1 mttm -129.58 115.97 18.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.132 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' CA ' ' HA ' ' A' ' 53' ' ' ASP . . . -126.26 -167.36 12.42 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.01 134.13 38.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.697 0.284 . . . . 0.0 110.239 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.537 HG12 HG23 ' A' ' 51' ' ' VAL . 75.1 mt -76.81 119.46 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.51 -17.56 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 38.4 mt-10 -142.05 154.29 44.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.897 0.38 . . . . 0.0 111.169 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -109.02 126.57 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 134.82 44.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -91.63 84.42 5.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.749 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.468 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.1 t -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.916 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.62 -7.18 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.66 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 8.4 p -109.2 -31.91 7.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' A' ' 44' ' ' SER . 28.9 m-85 -133.36 119.64 19.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.522 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.7 m-20 -96.84 -27.37 14.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.627 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.751 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 75.7 m-85 -134.64 153.3 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.224 0.535 . . . . 0.0 112.163 -171.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -107.74 112.51 25.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.025 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.537 HG23 HG12 ' A' ' 38' ' ' ILE . 59.1 t -110.57 118.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -98.08 114.97 27.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.067 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 20.9 t70 -64.27 160.91 17.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.065 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.3 -24.9 61.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p -73.59 -15.59 61.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.036 0.446 . . . . 0.0 111.386 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.33 43.71 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.989 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.41 113.01 13.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.645 0.259 . . . . 0.0 110.704 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.83 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.879 0.371 . . . . 0.0 110.105 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.52 166.65 14.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.065 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.531 ' CD1' HD13 ' A' ' 42' ' ' LEU . 39.0 m-85 -122.04 130.52 53.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -143.18 -179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.071 0.462 . . . . 0.0 111.492 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HZ2' ' CG ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -105.05 159.11 16.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.538 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.751 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.87 -35.32 70.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -68.96 -29.66 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 0.0 111.539 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.77 10.22 39.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.32 125.51 49.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.8 m -114.76 114.97 44.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HA ' HG13 ' A' ' 18' ' ' VAL . 22.5 Cg_exo -64.11 140.76 73.34 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.619 2.212 . . . . 0.0 112.005 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.89 128.36 35.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.712 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -71.62 -45.13 63.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.914 -172.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.12 -88.89 1.5 Allowed Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.7 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.55 96.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.941 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.4 pt? -97.44 -29.1 13.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.85 40.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -120.4 14.33 11.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 110.269 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -88.61 66.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp 45.54 91.21 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.63 -45.93 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.83 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.511 0.507 . . . . 0.0 111.101 174.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.4 m170 64.67 174.71 0.2 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.708 0.63 . . . . 0.0 111.234 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 61.04 93.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.11 94.68 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 111.973 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -112.35 -7.23 13.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--O 1.247 0.921 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.783 176.084 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.8 87.83 4.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.92 0.39 . . . . 0.0 110.167 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.71 14.95 2.44 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.773 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.693 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 8.4 p-10 -87.36 163.81 37.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.693 ' HD2' ' HB2' ' A' ' 4' ' ' ASP . 18.6 Cg_endo -58.82 103.07 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.207 2.605 . . . . 0.0 114.09 -174.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mp -121.89 122.45 27.73 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.452 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 7.9 Cg_exo -72.33 -83.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.537 2.158 . . . . 0.0 112.586 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 85.7 tttt 174.03 -95.74 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.419 ' H ' ' HB3' ' A' ' 8' ' ' LYS . 36.9 t80 178.41 151.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.492 ' HA ' ' OH ' ' A' ' 49' ' ' TYR . 6.0 m-90 63.25 85.57 0.13 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.394 0.434 . . . . 0.0 110.212 -172.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 26.4 m -76.32 -8.15 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 111.512 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.603 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 97.4 m-85 -96.49 107.23 34.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 11' ' ' SER . 12.1 Cg_exo -70.65 149.38 61.11 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.888 2.392 . . . . 0.0 112.174 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.35 113.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.036 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.87 -6.61 13.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.05 125.92 32.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.768 0.318 . . . . 0.0 110.46 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.83 130.82 36.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.877 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 68' ' ' PRO . 33.7 m -133.47 160.37 42.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.1 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -112.81 148.03 35.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.803 0.335 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp -82.41 133.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.849 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -76.76 164.68 25.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.041 0.448 . . . . 0.0 111.241 -178.1 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.458 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 65.1 t30 -81.35 26.55 0.45 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.839 0.828 . . . . 0.0 110.95 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' ASN . 25.1 p30 -104.95 -6.66 19.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.411 178.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.552 ' HB2' HG22 ' A' ' 32' ' ' VAL . . . -81.8 10.13 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -53.49 -42.86 67.72 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.389 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.1 12.19 30.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 0.0 110.356 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.7 -44.61 1.77 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.789 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 t -166.95 104.67 0.64 Allowed Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.85 153.03 64.11 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.313 2.009 . . . . 0.0 112.126 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.3 m170 66.24 25.58 10.56 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.367 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CD2' HG21 ' A' ' 59' ' ' THR . 0.1 OUTLIER -138.73 12.9 2.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 -176.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 24' ' ' ALA . 48.5 t -101.53 136.24 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.25 40.09 61.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.319 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -122.87 173.67 7.64 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 81.6 tttt -105.58 134.53 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.494 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.49 174.24 22.37 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -129.7 135.68 48.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.869 0.334 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 HG21 ' A' ' 51' ' ' VAL . 44.1 mm -62.23 123.36 14.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 pt -117.66 -17.9 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.056 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -162.04 157.7 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.855 0.36 . . . . 0.0 110.689 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -101.88 129.6 48.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.734 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.47 158.72 16.16 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -119.75 81.06 1.67 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.679 0.752 . . . . 0.0 109.43 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.639 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 41.9 t -141.44 150.3 42.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.032 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -26.06 59.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.369 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -91.58 -43.37 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.246 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.659 ' CD1' ' HA ' ' A' ' 61' ' ' PHE . 37.9 m-85 -140.2 119.92 13.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.588 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.96 5.81 28.57 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.895 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.824 ' HE2' ' HG3' ' A' ' 63' ' ' GLU . 98.9 m-85 -136.36 145.66 45.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.24 0.543 . . . . 0.0 111.917 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.95 111.82 21.74 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.684 HG21 HD12 ' A' ' 38' ' ' ILE . 21.8 t -109.84 154.53 11.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.891 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 p -118.6 117.13 28.13 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.81 149.04 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.876 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.42 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 10.1 pt-20 -64.36 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.197 0.522 . . . . 0.0 110.451 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -81.1 -12.64 59.23 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.37 1.98 41.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.362 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.71 171.08 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.9 mt -118.15 126.78 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.481 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.764 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -106.39 92.3 4.07 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.933 -177.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.9 101.02 13.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.764 ' CE1' HG22 ' A' ' 59' ' ' THR . 85.6 m-85 -142.24 -176.11 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.641 ' HG2' ' OE2' ' A' ' 63' ' ' GLU . 2.5 tttm -114.05 -179.63 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.824 ' HG3' ' HE2' ' A' ' 49' ' ' TYR . 2.6 mp0 -49.67 -36.7 25.82 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.762 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -74.29 -26.32 60.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -93.62 -6.75 45.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.024 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 mt -116.78 146.42 42.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -173.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -137.32 124.05 13.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.177 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.603 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 51.0 Cg_endo -70.47 152.21 65.48 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.059 1.84 . . . . 0.0 112.261 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -79.92 52.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.222 0.534 . . . . 0.0 110.644 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' HA ' HD11 ' A' ' 73' ' ' LEU . 28.7 mtpp -80.47 86.99 5.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.793 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.25 -58.09 1.6 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.101 173.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.5 52.38 0.48 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 70' ' ' LYS . 8.8 mp -84.15 78.82 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.304 0.573 . . . . 0.0 110.708 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.98 55.05 1.3 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.652 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -95.89 164.33 12.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.624 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.6 t 71.11 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.779 0.674 . . . . 0.0 112.032 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt 64.82 88.77 0.1 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -172.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -46.01 92.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.841 -170.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 59.61 -165.44 0.2 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -171.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -105.54 -25.88 12.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.89 132.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.04 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.41 -58.78 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -169.14 -43.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.459 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.1 m80 . . . . . 0 C--O 1.243 0.744 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.967 171.085 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.87 -39.47 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.65 179.4 43.08 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.925 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 55.52 71.43 1.26 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 111.295 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -92.56 23.65 0.53 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.207 2.604 . . . . 0.0 112.618 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -118.74 94.6 48.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 68.8 Cg_endo -90.91 11.04 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.853 2.369 . . . . 0.0 113.732 -175.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 44.5 mmtt 68.83 151.64 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.71 0.631 . . . . 0.0 111.359 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -140.97 146.63 37.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.431 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.489 ' HZ2' ' HA ' ' A' ' 43' ' ' HIS . 9.7 m-90 -68.48 102.95 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.484 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -81.89 -10.9 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.344 -177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.653 ' HD2' ' HH ' ' A' ' 49' ' ' TYR . 95.6 m-85 -100.69 121.18 53.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HD2' HD22 ' A' ' 16' ' ' LEU . 21.9 Cg_exo -65.83 167.11 18.34 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 123.303 2.669 . . . . 0.0 113.165 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.47 133.2 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.17 9.15 58.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.386 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.8 tp -82.19 120.92 25.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.7 122.3 23.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 68' ' ' PRO . 28.1 m -131.97 164.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.146 0.498 . . . . 0.0 111.045 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -123.28 149.92 44.17 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 20' ' ' ILE . 3.5 mp -82.56 113.42 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' CG ' HD21 ' A' ' 23' ' ' ASN . 30.2 p30 -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.126 -175.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -81.99 34.25 0.4 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.38 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.409 HD21 ' CG ' ' A' ' 21' ' ' ASN . 48.0 m-80 -101.95 -39.85 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.303 0.573 . . . . 0.0 109.827 175.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.01 16.88 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -15.43 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.151 -175.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -82.19 -23.23 35.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 109.891 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.7 -17.87 31.87 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.832 ' HB3' ' HB2' ' A' ' 31' ' ' HIS . 71.1 m -136.27 75.84 51.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.499 -0.35 . . . . 0.0 110.2 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -63.83 111.87 1.66 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.806 2.337 . . . . 0.0 112.158 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 t60 59.2 28.27 17.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.967 0.889 . . . . 0.0 110.301 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.832 ' HB2' ' HB3' ' A' ' 28' ' ' CYS . 49.3 m170 -114.43 0.66 14.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.195 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.4 m -92.27 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.673 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.35 -7.08 82.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.252 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -86.09 172.01 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.691 ' HG2' HD22 ' A' ' 69' ' ' LEU . 3.1 mtmm -118.65 159.67 23.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.056 0.455 . . . . 0.0 111.503 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.5 -168.04 24.87 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.243 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -147.57 128.78 14.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.678 0.275 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.82 118.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.802 HG13 ' HG2' ' A' ' 40' ' ' GLU . 29.6 pt -113.5 -17.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.802 ' HG2' HG13 ' A' ' 39' ' ' ILE . 63.6 mm-40 -131.97 142.88 49.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.125 -174.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -99.27 97.47 8.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.78 111.93 16.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.489 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 2.4 p-80 -79.82 77.41 6.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.04 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.4 t -137.51 172.27 13.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.719 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.91 17.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.398 0.618 . . . . 0.0 109.651 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -90.97 -56.55 3.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.748 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -117.18 142.49 46.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.756 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -102.83 -31.22 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.436 . . . . 0.0 110.582 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.653 ' HH ' ' HD2' ' A' ' 12' ' ' TYR . 58.2 m-85 -135.79 151.13 49.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 111.481 -174.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -111.87 116.89 31.39 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.93 130.81 47.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.691 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.463 ' HB2' HD12 ' A' ' 39' ' ' ILE . 29.8 t -89.41 100.51 13.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 4.9 m-20 -60.1 149.96 31.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.74 -27.56 65.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.074 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -81.72 0.68 37.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.722 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.18 -0.26 60.16 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 11.9 m-20 -81.22 169.24 17.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.561 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -134.22 104.85 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.2 m -112.37 137.86 49.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.397 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -89.98 131.49 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.092 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.62 -177.38 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.961 0.41 . . . . 0.0 110.771 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.62 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 31.8 tttp -122.59 168.18 12.48 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 49' ' ' TYR . 8.7 pt-20 -53.0 -35.31 59.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -173.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -100.21 9.85 42.14 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.887 -173.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.62 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 5.7 mp0 -101.89 -11.47 18.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.412 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.11 144.83 43.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.548 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -133.97 120.86 15.45 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.815 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.503 ' HA ' HG13 ' A' ' 18' ' ' VAL . 19.3 Cg_endo -58.64 148.42 82.24 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.777 2.318 . . . . 0.0 112.479 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.691 HD22 ' HG2' ' A' ' 35' ' ' LYS . 85.3 mt -65.91 150.41 48.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 110.6 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -86.42 76.11 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.377 -167.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.66 2.33 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 113.458 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.62 -39.66 2.22 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 57.43 31.24 19.9 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.037 0.535 . . . . 0.0 111.789 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.38 -9.02 58.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.981 0.419 . . . . 0.0 110.988 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.47 67.01 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -135.86 -2.65 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.655 0.74 . . . . 0.0 109.792 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.92 80.51 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.132 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.64 122.39 8.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -126.81 12.67 7.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.823 0.344 . . . . 0.0 110.502 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 74.16 -61.17 0.5 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.576 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -134.05 93.01 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -152.21 -57.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.024 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -99.15 -17.81 17.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.633 0.73 . . . . 0.0 109.23 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.8 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.666 176.206 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.877 0.37 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.01 24.46 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.418 0.628 . . . . 0.0 110.21 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.47 154.57 10.56 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.361 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 t70 -80.32 108.85 10.58 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 62.9 Cg_endo -101.2 16.05 0.35 Allowed 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 123.474 2.783 . . . . 0.0 113.537 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.5 tp -53.42 106.08 0.61 Allowed Pre-proline 0 N--CA 1.469 0.502 0 O-C-N 123.688 0.617 . . . . 0.0 111.586 -175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -100.08 -0.21 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.238 2.626 . . . . 0.0 113.811 -175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -120.76 123.43 42.63 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.639 -176.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -126.12 -79.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.463 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 3.6 m-90 -132.09 114.33 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.572 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -91.1 -36.05 14.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.5 m-85 -94.78 124.81 53.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.006 -175.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 16.0 Cg_exo -68.16 165.24 29.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.053 2.502 . . . . 0.0 112.543 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.71 138.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.266 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.2 55.01 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.15 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 68' ' ' PRO . 52.6 tp -88.63 128.89 35.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 0.0 110.537 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.21 130.28 35.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.404 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 68' ' ' PRO . 20.1 m -136.29 144.53 32.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.494 -176.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -101.71 146.18 28.11 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.96 127.99 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -135.89 170.89 15.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -171.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 53.86 38.66 29.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.964 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.522 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 9.7 p30 52.12 11.09 0.14 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.742 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' CYS . . . 64.57 -46.49 0.32 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.068 0.947 . . . . 0.0 113.018 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' H ' ' C ' ' A' ' 23' ' ' ASN . 66.8 mtt180 69.89 -71.36 0.13 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.588 0.755 . . . . 0.0 111.689 -176.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -114.66 92.65 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.921 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.68 -48.5 0.59 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.83 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.593 ' HB2' ' HE1' ' A' ' 61' ' ' PHE . 11.9 t -149.49 84.4 6.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.55 109.22 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.106 2.537 . . . . 0.0 113.61 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 t60 59.31 70.34 0.65 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.66 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' HB3' ' HD3' ' A' ' 34' ' ' ARG . 90.5 m-70 -140.46 34.98 1.85 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.684 174.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.522 ' CG2' ' HA ' ' A' ' 23' ' ' ASN . 61.4 t -69.59 138.55 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.764 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.43 -22.01 23.06 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.576 ' HD3' ' HB3' ' A' ' 31' ' ' HIS . 30.8 mtp180 -79.31 119.64 22.65 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 9.7 mtmp? -103.0 141.6 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.107 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.18 -177.52 15.02 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.358 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 33.4 ttpt -136.63 121.61 18.87 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.98 122.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.014 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.57 -19.48 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 33.5 tt0 -149.09 139.09 22.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.924 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.463 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . 43.4 m170 -88.84 117.26 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 50' ' ' ALA . 79.9 mt -85.34 135.55 33.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.586 -176.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -87.62 17.22 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.051 0.453 . . . . 0.0 110.457 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.3 t -84.67 174.05 10.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.118 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.68 -9.83 13.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.39 -39.46 12.66 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.567 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.49 127.46 35.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.82 -31.41 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -133.76 154.02 51.28 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.284 0.564 . . . . 0.0 112.384 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -109.19 115.94 30.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.89 130.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 p -83.85 103.12 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.543 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.27 158.83 8.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.645 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 25.7 tt0 -57.68 -25.38 60.19 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.782 0.433 . . . . 0.0 111.601 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 p -79.93 -9.24 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.033 0.444 . . . . 0.0 111.341 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.24 -3.52 61.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.302 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.35 136.33 36.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.49 0.186 . . . . 0.0 110.583 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.2 109.82 20.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.48 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 5.9 m -116.75 145.25 43.61 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -92.57 133.63 35.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' HE1' ' HB2' ' A' ' 28' ' ' CYS . 91.6 m-85 -136.23 171.66 14.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.965 0.412 . . . . 0.0 110.275 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 24.1 mtpp -106.55 -178.09 3.55 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.81 20.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 176.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -92.02 -40.31 11.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.505 ' OE1' ' HB2' ' A' ' 62' ' ' LYS . 16.9 mp0 -82.17 -13.41 57.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.4 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.496 HD13 HG22 ' A' ' 18' ' ' VAL . 60.6 mt -107.07 137.84 44.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.173 0.511 . . . . 0.0 112.128 -171.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -123.5 124.8 26.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.876 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.508 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -64.51 131.9 31.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.167 2.578 . . . . 0.0 112.552 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -92.2 27.63 2.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.475 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -89.38 97.78 11.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.091 -176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.3 -45.46 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.308 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.76 -123.18 7.76 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.967 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -111.67 102.43 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 110.325 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.45 85.76 2.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -131.2 -61.05 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 65.7 t 69.04 108.45 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.839 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -91.83 148.31 22.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.79 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.4 124.18 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.107 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 81' ' ' HIS . 5.7 p80 -96.51 48.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.472 0.654 . . . . 0.0 111.258 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -97.62 -4.16 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.008 171.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 5.7 p80 -79.22 43.11 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.397 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 81' ' ' HIS . 44.3 m-70 70.68 169.7 0.31 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.741 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 63.01 72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.478 . . . . 0.0 110.092 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.875 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.46 94.65 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.078 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.25 37.11 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.38 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -134.76 95.74 15.43 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 72.1 Cg_endo -78.76 -31.73 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.477 2.118 . . . . 0.0 113.378 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 11.0 mp 68.14 128.61 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 O-C-N 123.688 0.617 . . . . 0.0 111.154 -174.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.66 109.81 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.885 2.39 . . . . 0.0 111.688 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -93.64 143.79 25.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.508 0.67 . . . . 0.0 112.624 -174.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -108.65 106.12 16.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -57.44 117.31 4.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.296 0.57 . . . . 0.0 111.991 -173.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -81.82 -23.69 36.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.94 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 97.5 m-85 -95.75 109.58 46.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.896 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HD2' HD22 ' A' ' 16' ' ' LEU . 92.8 Cg_endo -80.82 168.13 17.82 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.877 2.385 . . . . 0.0 113.104 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.3 140.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.986 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.22 24.76 35.93 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.172 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.9 tp -107.84 124.33 49.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.67 124.67 30.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 68' ' ' PRO . 26.8 m -133.91 148.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG3' HD21 ' A' ' 69' ' ' LEU . 39.8 mt-10 -97.69 122.67 41.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.711 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.8 mp -72.71 136.8 24.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.747 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.4 p30 -135.13 70.33 1.44 Allowed 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.866 ' HA ' ' HG2' ' A' ' 65' ' ' GLU . 28.4 t-20 -66.55 82.18 0.1 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t30 75.52 -30.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.635 -173.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . . . 61.17 3.94 0.79 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 27.6 tpt180 47.88 -98.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.759 0.424 . . . . 0.0 110.015 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -153.74 88.54 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.23 -19.93 19.85 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.529 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 15.3 p -165.3 113.86 0.83 Allowed Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HG3' ' HA ' ' A' ' 24' ' ' ALA . 39.3 Cg_endo -89.08 -156.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.137 2.558 . . . . 0.0 112.32 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.435 ' C ' ' H ' ' A' ' 32' ' ' VAL . 82.5 t60 -84.52 78.23 9.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.341 . . . . 0.0 110.816 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.2 m170 67.22 -21.8 0.11 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.849 HG23 ' HB3' ' A' ' 22' ' ' ASN . 6.9 m -68.14 166.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.711 ' HA2' ' O ' ' A' ' 20' ' ' ILE . . . 118.18 23.18 3.61 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.173 -1.013 . . . . 0.0 110.94 -173.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -70.44 150.36 46.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -100.86 99.15 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.89 -178.59 15.77 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.405 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -130.24 129.56 43.48 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 12' ' ' TYR . 59.8 mt -66.01 132.42 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.222 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -119.8 -30.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.508 ' HB3' ' HB2' ' A' ' 50' ' ' ALA . 42.2 tt0 -141.82 143.21 33.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.648 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.76 130.78 39.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -112.5 134.25 54.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 0.0 110.989 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -100.72 89.64 3.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.532 0.682 . . . . 0.0 109.668 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 44.3 t -151.07 -179.52 7.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.425 -175.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.32 4.16 9.72 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 m -120.49 -30.78 4.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.831 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' O ' ' HB3' ' A' ' 44' ' ' SER . 66.5 m-85 -148.62 115.59 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.642 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.3 m-20 -104.2 -16.61 15.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.731 0.3 . . . . 0.0 111.391 -168.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.774 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 94.7 m-85 -144.18 153.17 41.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . . . -109.72 118.11 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.357 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.9 133.26 58.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -96.64 107.27 19.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.82 148.71 48.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.75 -20.55 35.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.661 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 t -70.54 -17.98 62.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.365 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.99 7.1 33.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.213 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.2 160.87 13.99 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.6 mt -122.65 114.75 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -124.48 142.69 51.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.887 0.375 . . . . 0.0 110.645 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' HB3' ' HB3' ' A' ' 47' ' ' TYR . 6.6 m-30 -89.54 140.71 29.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 82.4 m-85 -143.37 175.64 9.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -176.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.642 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 21.4 ttmm -113.51 155.34 25.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.061 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.774 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 8.1 pt-20 -57.96 -19.72 32.5 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.745 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -75.26 -25.91 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.479 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.866 ' HG2' ' HA ' ' A' ' 22' ' ' ASN . 10.1 mp0 -111.82 30.58 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 91.5 mt -121.31 120.92 36.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 111.539 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -124.73 109.32 28.21 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.518 ' HA ' HG11 ' A' ' 18' ' ' VAL . 31.6 Cg_endo -63.98 144.77 88.72 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.829 2.353 . . . . 0.0 112.848 -177.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD21 ' HG3' ' A' ' 19' ' ' GLU . 80.0 mt -68.38 111.46 4.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.643 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -101.1 105.29 16.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.363 0.601 . . . . 0.0 110.411 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.46 -27.27 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.351 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.55 20.29 30.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.895 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tt -78.8 -68.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 21.76 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.754 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -86.54 -31.15 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.442 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 ' H ' ' A' ' 78' ' ' GLU . 12.0 p -124.82 128.49 73.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.251 0.548 . . . . 0.0 110.869 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.92 21.0 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.583 ' H ' HG23 ' A' ' 76' ' ' VAL . 30.5 tt0 -69.32 110.7 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.208 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -59.95 114.47 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.294 0.569 . . . . 0.0 110.416 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.33 75.77 8.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.9 -175.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 52.65 78.73 0.13 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.591 174.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -136.89 105.06 5.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.347 0.594 . . . . 0.0 112.335 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -107.8 -17.16 14.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 162.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 C--O 1.242 0.686 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.938 173.088 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.79 0.328 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.07 107.4 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.548 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.23 -74.42 0.53 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.558 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 34.8 m-20 -134.13 144.3 50.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 122.749 -0.265 . . . . 0.0 110.809 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 14.6 Cg_exo -70.48 113.3 3.45 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.841 2.361 . . . . 0.0 111.824 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' HG ' ' HD2' ' A' ' 7' ' ' PRO . 16.2 tp -104.64 146.75 33.22 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' HD2' ' HG ' ' A' ' 6' ' ' LEU . 63.0 Cg_exo -40.32 132.44 2.28 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.313 2.675 . . . . 0.0 112.539 175.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -72.09 144.26 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.6 . . . . 0.0 111.676 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 10' ' ' TRP . 80.0 t80 -171.89 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.369 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.461 ' HD1' ' CZ ' ' A' ' 49' ' ' TYR . 24.8 m-90 69.93 95.89 0.07 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.551 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -54.7 -23.87 19.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.154 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.862 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 94.8 m-85 -102.53 105.77 45.74 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-O 120.933 0.396 . . . . 0.0 110.28 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.57 166.8 28.28 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.132 2.555 . . . . 0.0 112.27 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.62 129.68 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.85 11.72 49.18 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.126 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -91.32 130.29 37.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.777 0.323 . . . . 0.0 110.224 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.66 120.41 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.038 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.502 HG13 ' HA ' ' A' ' 68' ' ' PRO . 29.7 m -129.62 166.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.358 0.599 . . . . 0.0 111.066 -176.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 67' ' ' THR . 15.2 pt-20 -115.19 137.58 51.86 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.939 173.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.707 ' HB ' ' HB3' ' A' ' 34' ' ' ARG . 2.9 mp -78.95 124.58 37.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.6 p-10 -130.65 37.75 3.79 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.824 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 5.0 t30 -50.69 85.92 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.982 1.426 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ASN . 92.7 m-20 58.84 22.33 10.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.447 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.719 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . . . -52.48 -36.25 54.52 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -99.89 -8.31 24.19 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.108 -175.29 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -161.77 98.38 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.648 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.47 -46.69 1.07 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.54 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.5 m -137.79 69.7 51.3 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 82.3 Cg_endo -75.96 137.85 20.12 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.923 2.415 . . . . 0.0 112.632 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 63.79 27.89 14.69 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -126.58 -39.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.185 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.719 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . 4.3 t -100.21 139.47 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.107 0.479 . . . . 0.0 111.247 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.99 73.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 7.2 tpt180 -125.88 146.67 49.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.63 -0.285 . . . . 0.0 110.884 -169.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -102.22 139.77 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.67 170.97 31.82 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.177 -1.011 . . . . 0.0 113.16 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HB3' ' HG ' ' A' ' 52' ' ' SER . 20.4 tptm -130.37 118.94 21.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.1 mt -74.95 119.88 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.559 0.218 . . . . 0.0 110.602 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.521 HG13 ' HG3' ' A' ' 40' ' ' GLU . 22.0 pt -116.48 -26.15 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' HG3' HG13 ' A' ' 39' ' ' ILE . 42.3 mt-10 -136.11 153.98 51.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.054 -175.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -113.8 111.13 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.062 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 60' ' ' TYR . 42.7 mt -89.03 -45.23 9.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 10.5 t-80 68.13 91.99 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.804 0.69 . . . . 0.0 109.746 -171.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.713 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.5 t -157.04 151.18 24.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.468 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.4 -21.36 64.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -108.95 -36.44 6.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.988 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.713 ' O ' ' HB3' ' A' ' 44' ' ' SER . 16.8 p90 -144.5 116.4 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.224 0.535 . . . . 0.0 111.393 -177.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 20.4 m-20 -101.17 -10.71 20.16 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.027 -0.421 . . . . 0.0 111.629 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.737 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 42.2 m-85 -128.81 142.88 50.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -175.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -105.82 123.68 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.72 124.22 71.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.07 -172.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.555 ' HG ' ' HB3' ' A' ' 37' ' ' LYS . 35.9 p -85.22 104.83 15.44 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.18 164.22 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.975 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.8 -16.07 60.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.631 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.3 p -88.51 -7.75 56.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.222 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.94 0.13 66.45 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.1 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.31 150.32 21.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -99.61 112.4 31.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.938 0.399 . . . . 0.0 111.292 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.7 p -101.98 170.99 7.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CD1' HD12 ' A' ' 42' ' ' LEU . 73.5 m-85 -134.27 114.52 13.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.792 0.33 . . . . 0.0 110.196 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.04 174.3 10.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.058 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.587 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 34.4 tttp -104.87 164.2 11.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.737 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.0 pt-20 -64.59 -29.37 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -172.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -69.27 -35.18 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.399 0.618 . . . . 0.0 110.208 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.824 ' HB3' ' HA ' ' A' ' 22' ' ' ASN . 19.9 mp0 -86.14 8.42 21.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.356 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.9 135.47 55.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.9 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.1 m -135.07 130.67 19.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.862 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 42.9 Cg_endo -67.25 148.47 80.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.269 1.979 . . . . 0.0 112.521 -175.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.81 111.9 5.18 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 70' ' ' LYS . 4.8 ptpp? -104.5 173.66 6.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.539 -169.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.97 -43.63 1.66 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.85 -110.53 3.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.167 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 tp -159.82 -85.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.517 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.1 45.63 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.327 0.584 . . . . 0.0 110.153 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -102.28 86.6 2.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.298 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.0 t -132.22 -60.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.964 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tt 59.61 83.36 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.672 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -36.03 64.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.725 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 56.91 41.03 28.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.623 . . . . 0.0 110.574 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -101.26 133.38 45.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -111.77 153.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -64.84 104.65 0.87 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 t60 41.61 77.05 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.281 170.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.8 t60 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.564 174.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 121.172 0.51 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.87 -30.27 2.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.957 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.0 -81.74 0.35 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.778 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -121.38 123.57 27.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.95 156.0 46.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.302 2.668 . . . . 0.0 113.419 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 95.8 mt -84.5 145.52 45.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 6' ' ' LEU . 13.4 Cg_exo -71.06 19.3 0.23 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.44 2.76 . . . . 0.0 113.698 -176.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.64 -32.48 71.18 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 109.307 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -114.95 133.66 55.82 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.481 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.414 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 31.7 m-90 -61.35 123.54 18.06 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.405 0.441 . . . . 0.0 111.855 -174.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m -70.88 -31.53 68.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.492 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.491 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 5.7 m-85 -102.51 134.69 19.8 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -176.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD2' HD21 ' A' ' 16' ' ' LEU . 88.7 Cg_endo -85.67 179.66 3.78 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.091 2.527 . . . . 0.0 112.971 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.14 140.68 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.199 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.08 63.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 HD21 ' HD2' ' A' ' 13' ' ' PRO . 61.1 tp -91.71 127.51 37.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' HD12 ' A' ' 69' ' ' LEU . . . -81.68 130.64 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG11 ' HA ' ' A' ' 68' ' ' PRO . 25.4 m -139.87 153.19 22.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.588 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 37.3 mt-10 -107.47 149.27 28.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.516 HD12 ' HB3' ' A' ' 34' ' ' ARG . 2.0 mp -67.76 125.57 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.6 t-20 -76.09 166.36 23.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.364 -171.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -79.73 28.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.81 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 25' ' ' ARG . 9.1 t30 -119.16 -23.25 6.86 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.097 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.66 33.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.659 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' ASN . 36.2 ttt180 -84.26 -11.47 56.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -86.15 125.24 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.235 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.4 -56.5 2.38 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.742 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.4 m -124.01 84.31 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.186 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.06 34.13 0.45 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.986 2.458 . . . . 0.0 113.634 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.9 27.87 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.686 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -111.94 3.48 17.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -81.18 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.562 -177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.63 11.25 59.51 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.657 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HB3' HD12 ' A' ' 20' ' ' ILE . 18.2 tpt180 -94.52 145.5 24.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' HG2' ' HG2' ' A' ' 19' ' ' GLU . 41.4 mttp -100.9 149.8 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.575 0.226 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.69 -172.36 30.05 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.305 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -145.22 138.53 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.537 0.208 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.3 mt -75.18 120.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.49 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 52' ' ' SER . 36.5 pt -121.99 -0.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.88 156.97 25.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 12' ' ' TYR . 89.6 m-70 -108.5 128.7 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.383 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -123.86 169.14 11.88 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -151.07 95.24 2.16 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 170.758 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -142.99 168.95 18.49 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.583 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.36 -8.38 59.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.11 0.481 . . . . 0.0 110.408 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 p -109.55 -36.15 6.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.198 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -158.46 149.84 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 52.4 m-20 -124.47 2.89 8.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.702 0.287 . . . . 0.0 111.46 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 96.5 m-85 -142.92 141.42 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.43 111.18 23.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -106.8 123.91 62.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.734 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.481 ' HB3' HD12 ' A' ' 39' ' ' ILE . 78.2 p -87.3 111.24 20.86 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.03 165.05 2.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.207 0.527 . . . . 0.0 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.22 -11.33 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.305 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -104.22 0.79 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.47 12.6 60.97 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.664 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -87.0 119.06 26.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.87 106.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.812 0.339 . . . . 0.0 110.712 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -120.76 138.66 53.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 5.0 m-85 -97.98 135.53 39.55 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.48 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.76 169.12 18.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.709 ' HG3' ' HA ' ' A' ' 47' ' ' TYR . 59.2 mttm -97.16 156.83 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 169.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.8 pt-20 -60.14 -21.03 61.11 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -70.22 -22.28 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.547 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -99.79 15.3 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -127.37 142.02 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.0 111.355 -175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 25.9 m -116.18 120.68 34.79 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.296 173.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.523 ' HA ' HG11 ' A' ' 18' ' ' VAL . 7.5 Cg_exo -70.65 132.26 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.783 2.322 . . . . 0.0 112.635 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD21 ' HG3' ' A' ' 19' ' ' GLU . 74.8 mt -81.07 166.03 21.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.028 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.651 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 97.8 mttt 70.32 -67.71 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.581 0.551 . . . . 0.0 110.039 -172.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.21 10.38 9.91 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 114.627 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.06 50.15 70.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.061 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 70' ' ' LYS . 85.5 mt -71.68 7.91 1.32 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 67.49 6.64 5.06 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.064 0.545 . . . . 0.0 111.853 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -91.08 6.3 45.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.766 0.793 . . . . 0.0 109.469 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.8 t -83.28 102.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.66 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.31 145.99 47.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -63.05 92.72 0.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 111.242 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 m80 67.87 -87.78 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.229 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.8 t60 51.36 43.34 29.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.361 0.6 . . . . 0.0 109.99 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -78.77 0.14 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.882 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -93.35 82.73 4.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.243 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -120.42 15.87 12.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.748 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ppp? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.74 22.22 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.926 0.393 . . . . 0.0 110.284 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.67 90.9 2.18 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.6 116.11 8.28 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 123.933 0.431 . . . . 0.0 111.88 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 -159.43 0.09 OUTLIER 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.087 2.525 . . . . 0.0 112.35 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp 65.78 92.33 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.358 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.78 76.27 0.59 Allowed 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.07 2.513 . . . . 0.0 112.786 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.24 7.1 38.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.832 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -129.11 -166.62 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.083 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.528 ' CD1' ' HB2' ' A' ' 41' ' ' HIS . 9.0 m-90 -64.12 134.08 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.814 -174.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -86.61 -24.02 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 89.3 m-85 -107.14 135.21 19.64 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.806 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 5.3 Cg_exo -79.33 173.51 13.15 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.922 2.415 . . . . 0.0 112.915 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.64 134.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.352 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.81 1.44 45.96 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.064 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -82.86 127.25 33.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.735 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.11 123.85 30.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.199 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.8 m -134.52 159.27 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -175.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB3' HD22 ' A' ' 69' ' ' LEU . 11.0 pt-20 -105.64 152.87 22.58 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 169.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.0 mp -91.38 128.53 43.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 65' ' ' GLU . 3.7 m-20 -75.6 142.31 42.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.364 -176.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -77.7 48.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.321 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.647 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -109.63 -8.61 14.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.183 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 92.59 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.452 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -96.49 -1.73 46.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.85 152.22 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.933 -1.031 . . . . 0.0 108.893 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.66 -60.34 4.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.323 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.5 p -134.9 71.34 69.86 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.518 . . . . 0.0 110.02 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.8 110.19 0.71 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.113 2.542 . . . . 0.0 113.068 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.2 t60 64.62 25.76 13.16 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -120.8 26.7 8.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.65 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG13 ' H ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -90.14 -171.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.742 -172.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.646 ' H ' HG13 ' A' ' 32' ' ' VAL . . . 75.28 33.63 53.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -114.3 167.38 10.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -105.1 137.3 43.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.466 . . . . 0.0 110.919 -175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.41 -168.38 14.86 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.007 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -145.44 142.6 29.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.74 112.3 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -97.79 -15.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.436 . . . . 0.0 111.06 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -172.71 150.46 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.528 ' HB2' ' CD1' ' A' ' 10' ' ' TRP . 1.4 p-80 -105.58 132.48 51.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.458 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.0 mt -91.67 146.41 23.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.556 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -88.35 55.65 3.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 32.4 t -119.85 159.89 23.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.237 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.87 -23.72 18.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 p -87.5 -46.01 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.164 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.488 ' O ' ' HB3' ' A' ' 44' ' ' SER . 78.2 m-85 -135.11 122.04 21.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -99.13 -9.12 24.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -170.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.721 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 84.7 m-85 -136.67 150.82 48.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.862 -0.524 . . . . 0.0 111.58 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.4 113.15 25.39 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.8 122.35 56.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 p -84.13 104.85 14.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.388 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD1' HG23 ' A' ' 55' ' ' THR . 16.7 t70 -73.39 156.5 38.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.62 -20.48 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 HG23 ' OD1' ' A' ' 53' ' ' ASP . 10.4 t -79.64 -9.82 59.69 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.491 0.186 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.4 18.11 37.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.515 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -104.03 132.33 50.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.02 100.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -105.3 142.71 34.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.923 0.392 . . . . 0.0 110.016 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -94.88 126.37 40.16 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 20' ' ' ILE . 64.0 m-85 -132.97 173.45 11.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.195 0.522 . . . . 0.0 111.356 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.476 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 53.4 tttp -120.96 159.36 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.307 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.721 ' HG2' ' HE1' ' A' ' 49' ' ' TYR . 38.0 mt-10 -51.11 -30.36 16.04 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.815 0.34 . . . . 0.0 111.641 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.09 -29.79 61.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG2' ' HB2' ' A' ' 23' ' ' ASN . 6.5 mt-10 -127.69 29.59 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -130.85 136.33 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.5 m -138.72 127.41 14.08 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.38 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HA ' HG12 ' A' ' 18' ' ' VAL . 18.8 Cg_endo -60.25 145.83 97.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.909 2.406 . . . . 0.0 112.783 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD22 ' HB3' ' A' ' 19' ' ' GLU . 97.2 mt -81.01 68.62 7.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -172.5 141.68 1.18 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.03 0.532 . . . . 0.0 110.422 174.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.69 59.14 4.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.837 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.54 -135.12 38.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.921 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.55 19.11 18.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.543 0.211 . . . . 0.0 111.055 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.41 38.96 0.25 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.965 0.412 . . . . 0.0 111.833 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.2 -45.05 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.078 0.466 . . . . 0.0 110.282 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -88.69 85.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt -92.76 91.83 7.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.666 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -141.93 109.8 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.736 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -65.46 124.02 21.18 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.429 ' HD2' ' HB2' ' A' ' 82' ' ' HIS . 15.4 t60 -59.17 139.66 56.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.861 -171.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -83.75 26.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.659 -171.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.429 ' HB2' ' HD2' ' A' ' 80' ' ' HIS . 25.4 t60 -84.7 71.46 10.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.067 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -170.91 110.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.34 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.425 176.149 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.839 0.352 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.89 121.5 2.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.576 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.76 108.56 3.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.267 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -125.29 78.47 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.422 0.63 . . . . 0.0 110.953 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -91.78 -173.08 0.47 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.3 tp -135.29 83.94 36.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.242 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.57 139.86 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.041 2.494 . . . . 0.0 111.522 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -119.57 -72.62 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.854 0.359 . . . . 0.0 111.46 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -106.25 -14.74 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -169.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.477 ' HB3' ' H ' ' A' ' 11' ' ' SER . 19.9 m95 62.66 -155.96 0.34 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -172.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.477 ' H ' ' HB3' ' A' ' 10' ' ' TRP . 53.5 m -98.05 -18.25 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.956 0.407 . . . . 0.0 110.405 176.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.3 m-85 -127.58 134.25 25.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.692 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.5 Cg_exo -71.34 174.29 11.04 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.989 2.46 . . . . 0.0 112.863 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.19 143.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.458 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.54 10.58 70.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.068 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD21 ' HD2' ' A' ' 13' ' ' PRO . 61.0 tp -89.96 123.71 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.668 0.27 . . . . 0.0 110.602 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB1' HD13 ' A' ' 69' ' ' LEU . . . -82.09 130.04 34.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.946 176.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG13 ' HA ' ' A' ' 68' ' ' PRO . 21.0 m -135.3 153.66 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.26 0.552 . . . . 0.0 112.297 -173.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.6 mm-40 -96.1 120.24 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.605 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.526 HD11 HG13 ' A' ' 51' ' ' VAL . 3.4 mp -81.67 130.14 36.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.714 0.293 . . . . 0.0 110.374 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.504 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 7.8 p30 -126.48 25.98 6.42 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.661 ' HA ' ' HG2' ' A' ' 65' ' ' GLU . 27.7 t-20 -62.86 80.78 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.067 -1.424 . . . . 0.0 108.973 174.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 85.8 35.12 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.352 -1.749 . . . . 0.0 109.054 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.864 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . . . -62.47 99.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.52 170.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.733 ' H ' ' HA ' ' A' ' 29' ' ' PRO . 16.4 mmm180 -80.52 78.75 7.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.683 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 61.27 -89.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.855 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.93 15.5 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.628 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 11.6 p -168.71 92.29 0.6 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 109.732 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.864 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 6.8 Cg_exo -73.86 -172.21 1.05 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.662 2.241 . . . . 0.0 112.19 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -74.05 58.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.729 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.8 m80 64.71 21.75 12.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.709 0.766 . . . . 0.0 110.318 -174.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.801 HG13 ' H ' ' A' ' 33' ' ' GLY . 2.3 t -97.81 -159.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.647 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.801 ' H ' HG13 ' A' ' 32' ' ' VAL . . . 82.63 46.88 6.19 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -175.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -102.86 151.85 21.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.796 -0.702 . . . . 0.0 110.047 -176.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 31.9 mttp -102.36 119.91 39.61 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 172.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.17 -173.67 14.32 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.04 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -134.77 135.13 41.63 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.597 0.237 . . . . 0.0 110.435 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.436 HG22 ' HB3' ' A' ' 49' ' ' TYR . 70.2 mt -72.79 111.37 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.752 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 pt -106.4 -13.87 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.917 0.389 . . . . 0.0 111.371 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 2.0 mm-40 -148.91 141.34 24.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CG ' ' HD1' ' A' ' 10' ' ' TRP . 58.6 m170 -95.1 128.73 42.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -94.6 179.0 5.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -139.57 33.01 2.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.419 0.628 . . . . 0.0 109.493 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.1 t -96.94 164.29 12.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.07 -14.73 33.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.011 0.434 . . . . 0.0 109.972 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -94.8 -37.89 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -134.12 140.76 46.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.04 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -104.24 -28.83 11.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 0.0 111.189 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.542 ' HE2' ' CB ' ' A' ' 63' ' ' GLU . 49.1 m-85 -136.03 162.64 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 111.404 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' ' 40' ' ' GLU . . . -115.96 119.91 37.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 173.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG13 HD11 ' A' ' 20' ' ' ILE . 87.2 t -116.02 130.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -173.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m -94.78 112.32 24.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.11 173.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.23 173.28 11.56 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.648 -175.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.1 mt-10 -55.72 -38.03 69.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.068 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -70.45 -5.37 28.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.243 0.544 . . . . 0.0 110.162 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.72 8.15 83.22 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.551 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.51 139.44 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.567 0.223 . . . . 0.0 110.421 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.19 101.51 12.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.2 m -114.09 143.6 44.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.075 -176.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -93.94 137.78 32.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 78.6 m-85 -139.81 171.44 14.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 23.2 mttm -103.96 162.88 12.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.052 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.542 ' CB ' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.85 -14.73 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.349 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.27 -23.93 37.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.551 -175.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' A' ' 22' ' ' ASN . 5.0 mp0 -113.39 19.47 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.625 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 18' ' ' VAL . 85.7 mt -114.71 118.86 34.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.852 0.358 . . . . 0.0 111.002 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -115.05 119.78 38.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.365 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HA ' HG13 ' A' ' 18' ' ' VAL . 42.2 Cg_exo -56.82 136.43 76.38 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.754 2.303 . . . . 0.0 112.082 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD21 ' HG2' ' A' ' 19' ' ' GLU . 61.5 mt -70.43 98.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.039 0.447 . . . . 0.0 111.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -130.45 125.96 35.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.368 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.3 37.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.015 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.13 -81.72 1.17 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.305 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.4 tp 178.04 -73.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.42 10.75 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.896 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -116.0 90.6 3.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.603 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.78 6.84 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.881 0.848 . . . . 0.0 109.413 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 77' ' ' LEU . 5.4 mp -86.04 -37.29 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.094 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.886 ' HG2' ' H ' ' A' ' 79' ' ' HIS . 0.7 OUTLIER -101.31 -80.44 0.49 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.409 -175.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.886 ' H ' ' HG2' ' A' ' 78' ' ' GLU . 35.7 t-80 53.83 -96.77 0.06 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.977 0.511 . . . . 0.0 110.502 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.11 155.91 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -121.69 171.08 9.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -69.92 -36.86 75.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.702 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -114.48 -175.01 2.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.834 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.6 p80 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.585 175.688 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.9 127.35 53.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.491 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . 90.58 5.96 68.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.209 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -110.54 92.94 15.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.107 0.454 . . . . 0.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 6' ' ' LEU . 74.1 Cg_endo -95.77 25.63 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.482 2.788 . . . . 0.0 112.224 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.568 HD13 ' HD2' ' A' ' 5' ' ' PRO . 6.9 mp -82.8 136.0 45.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.766 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -70.81 105.48 1.66 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.588 2.192 . . . . 0.0 112.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -115.97 -70.74 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.298 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.8 90.04 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.046 0.841 . . . . 0.0 112.383 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 65.87 116.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.265 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -88.48 -25.48 22.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.66 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -103.22 138.45 19.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HD2' HD21 ' A' ' 16' ' ' LEU . 87.1 Cg_endo -83.57 177.55 6.24 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.957 2.438 . . . . 0.0 112.845 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG23 ' CE1' ' A' ' 41' ' ' HIS . 89.4 t -87.8 139.18 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.5 35.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD21 ' HD2' ' A' ' 13' ' ' PRO . 56.1 tp -107.86 127.77 54.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.495 0.188 . . . . 0.0 110.626 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.68 124.03 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 0.0 110.338 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.4 m -125.59 161.12 30.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.376 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 49.1 mt-10 -102.92 146.92 27.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -80.52 119.42 30.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.806 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -87.37 -176.78 5.76 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.031 0.444 . . . . 0.0 110.837 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -83.25 28.0 0.55 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.234 0.54 . . . . 0.0 112.252 -170.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -96.12 -25.38 15.89 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.63 26.48 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.138 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -69.53 -19.84 63.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.279 0.562 . . . . 0.0 110.497 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.13 153.11 23.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.708 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.69 -48.73 3.76 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.385 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 p -142.8 94.64 6.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.49 163.18 27.24 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.411 2.074 . . . . 0.0 111.537 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 64.15 24.17 13.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.818 0.818 . . . . 0.0 109.457 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' HE2' ' CG ' ' A' ' 53' ' ' ASP . 20.9 t-80 -128.88 4.86 5.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.473 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.24 142.54 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.68 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.93 14.29 81.81 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HD3' ' CD2' ' A' ' 31' ' ' HIS . 20.3 ttt180 -89.51 164.25 14.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.232 -0.484 . . . . 0.0 109.801 -175.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -115.74 120.51 39.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.9 150.5 19.37 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.684 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -112.0 129.77 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.914 0.387 . . . . 0.0 110.455 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.551 HG12 HG22 ' A' ' 51' ' ' VAL . 59.4 mt -74.65 123.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.477 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.9 pt -119.96 -6.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.8 tp10 -150.25 133.72 16.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' CE1' HG23 ' A' ' 14' ' ' VAL . 19.2 m170 -89.06 107.6 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.88 172.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.35 125.04 33.36 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.192 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -85.83 60.85 6.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.617 0.722 . . . . 0.0 110.299 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -128.73 153.55 47.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.872 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.91 -29.79 35.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.053 0.454 . . . . 0.0 109.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 p -73.18 -45.14 58.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.712 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.25 131.82 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.833 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.563 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 4.9 m-20 -101.69 -15.0 17.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.834 0.349 . . . . 0.0 111.259 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -136.83 144.49 43.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.044 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.77 107.85 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 169.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.551 HG22 HG12 ' A' ' 38' ' ' ILE . 46.2 t -104.59 115.88 47.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.741 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 28.5 m -90.64 110.39 21.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.323 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' CG ' ' HE2' ' A' ' 31' ' ' HIS . 8.8 m-20 -58.58 161.58 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.142 177.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -21.33 64.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 111.488 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -81.5 -9.95 59.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.761 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.19 13.32 33.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.641 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' SER . 7.7 m-20 -86.34 120.27 27.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.0 mt -86.56 100.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.861 0.363 . . . . 0.0 110.314 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 m -112.76 138.61 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.204 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.46 134.6 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -141.05 170.9 14.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.275 0.559 . . . . 0.0 111.681 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 54.1 tttp -115.53 170.63 8.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -17.31 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -81.05 -28.67 35.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.965 0.412 . . . . 0.0 110.951 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -93.28 4.84 53.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.544 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 HD22 HG21 ' A' ' 18' ' ' VAL . 87.5 mt -121.49 122.4 39.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 111.765 -174.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.5 m -117.59 109.08 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.501 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 43.5 Cg_endo -66.81 149.62 83.4 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.988 2.458 . . . . 0.0 114.712 -169.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HG ' ' HG3' ' A' ' 19' ' ' GLU . 29.8 mt -83.26 109.19 17.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.494 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -95.89 106.1 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.961 0.41 . . . . 0.0 110.448 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.15 -15.55 47.66 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.058 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.86 177.75 17.3 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.997 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -86.21 -56.36 3.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.238 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.66 87.98 7.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.116 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.47 -16.9 25.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.249 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -92.69 92.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.999 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.22 -0.94 47.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.74 -44.52 73.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.857 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -66.07 -48.88 69.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.058 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -108.24 82.79 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -122.58 -49.31 2.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.024 174.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 179.78 -174.81 0.26 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -153.98 116.69 4.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.698 -0.667 . . . . 0.0 109.808 178.56 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.599 0.237 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.19 -37.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 111.325 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.5 -93.29 0.51 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -154.44 118.48 2.6 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.214 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -98.02 16.22 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.431 2.754 . . . . 0.0 112.179 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.63 146.17 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.889 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -57.82 133.69 57.77 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.973 2.449 . . . . 0.0 112.203 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -86.04 44.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.695 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.37 -152.38 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.786 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -85.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 110.567 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.503 ' HB2' ' OH ' ' A' ' 49' ' ' TYR . 68.3 m -165.34 -38.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 22.0 m-85 -118.28 132.33 23.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.428 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.0 Cg_endo -81.4 165.9 18.33 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.89 2.394 . . . . 0.0 112.887 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 39' ' ' ILE . 65.5 t -73.16 138.18 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.294 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 -7.12 55.61 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.67 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.18 119.77 22.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.24 123.64 29.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG13 ' HA ' ' A' ' 68' ' ' PRO . 35.5 m -130.77 145.47 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.043 -176.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.577 ' HG2' ' HG3' ' A' ' 35' ' ' LYS . 39.4 mt-10 -94.34 130.47 40.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 20' ' ' ILE . 2.8 mp -65.46 120.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.58 . . . . 0.0 110.078 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -75.05 151.29 38.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.017 -174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -76.76 59.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 110.558 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 52.4 m-80 -122.52 -25.2 4.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.541 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -2.24 20.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.042 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -57.96 -28.72 64.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -105.44 83.75 2.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.598 0.713 . . . . 0.0 109.685 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.38 -59.68 0.38 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.182 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.69 83.94 10.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.48 35.55 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.446 2.764 . . . . 0.0 113.458 -171.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -125.46 19.71 8.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.023 0.916 . . . . 0.0 109.738 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -148.37 90.16 1.78 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.289 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.12 111.81 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.42 84.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.984 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -87.16 155.04 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HG3' ' HG2' ' A' ' 19' ' ' GLU . 2.2 mptp? -99.75 116.34 31.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.11 -171.79 14.03 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.107 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -143.18 133.08 24.07 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -73.66 120.59 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.082 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HA ' HG12 ' A' ' 14' ' ' VAL . 25.7 pt -116.86 -7.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.7 tp10 -156.16 149.03 24.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' NE2' HG22 ' A' ' 14' ' ' VAL . 89.3 m-70 -99.1 111.78 24.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.34 117.2 24.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -86.17 79.03 9.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.169 172.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 35.5 t -129.1 -175.0 3.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.579 -175.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.05 -0.13 11.17 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 m -118.48 -46.75 2.57 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.381 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' O ' ' HB3' ' A' ' 44' ' ' SER . 48.7 m-85 -117.67 150.43 39.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.642 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.518 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.6 m-20 -112.45 -30.65 7.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.503 ' OH ' ' HB2' ' A' ' 11' ' ' SER . 54.4 m-85 -137.38 146.58 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.41 . . . . 0.0 111.764 -173.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -99.73 114.04 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.46 126.62 69.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p -98.94 115.04 27.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 168.51 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 111.429 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.41 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.4 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -6.33 44.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.97 15.31 70.27 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.736 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -101.04 123.53 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.35 121.35 40.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.02 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 7.2 m -130.13 147.5 51.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.168 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.07 128.26 36.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.534 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 84.4 m-85 -130.33 170.68 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.237 0.541 . . . . 0.0 110.531 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.583 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 55.7 tttp -111.71 164.83 12.6 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.74 -30.93 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -72.92 -22.93 60.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.888 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 6.7 mp0 -98.43 25.39 6.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.291 -173.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.5 mt -135.42 156.24 49.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 111.397 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 90.9 m -142.89 105.05 5.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.428 172.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.53 ' HA ' HG13 ' A' ' 18' ' ' VAL . 17.0 Cg_exo -66.89 149.75 83.12 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.222 2.615 . . . . 0.0 113.545 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt -85.64 78.89 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.099 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -105.5 106.54 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.682 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.37 -30.96 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.62 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.24 -167.77 30.54 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 73' ' ' LEU . 3.8 mm? -90.25 70.61 7.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 110.559 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.17 -41.52 10.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.5 t80 68.62 11.24 8.28 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.65 89.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.5 mt 68.25 137.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.784 0.802 . . . . 0.0 112.519 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' HB2' ' H ' ' A' ' 82' ' ' HIS . 1.4 pm0 -76.48 95.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.86 175.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -69.25 127.19 32.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.872 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.4 p80 41.0 47.68 2.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 124.324 1.015 . . . . 0.0 112.438 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 68.24 108.28 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.491 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.472 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 81.5 t60 -168.11 96.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.503 169.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 12.2 t60 -103.13 118.89 37.81 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' ' 83' ' ' HIS . 42.8 t-80 . . . . . 0 C--O 1.245 0.847 0 O-C-N 123.729 0.643 . . . . 0.0 110.409 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 40.7 m-85 -97.21 133.94 23.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' HD22 ' A' ' 16' ' ' LEU . 93.7 Cg_endo -84.79 173.87 7.95 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.174 2.583 . . . . 0.0 113.15 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -78.26 135.71 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.339 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.53 -0.32 58.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.258 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.5 tp -80.27 129.79 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 0.0 110.589 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.26 127.98 33.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.024 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.2 m -134.32 166.59 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.215 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.6 pt-20 -119.26 148.43 43.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 173.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.464 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 . . . . . 0 CA--C 1.521 -0.14 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 9.8 mtmp? -120.23 159.22 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.31 -178.95 29.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.115 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -129.54 125.39 36.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 49' ' ' TYR . 67.3 mt -73.92 112.56 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.4 pt -110.35 -24.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 49.0 mm-40 -137.36 159.56 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.489 ' HD2' ' HD1' ' A' ' 49' ' ' TYR . 20.8 m170 -109.38 135.07 51.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.841 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.57 151.15 38.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.904 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -112.28 101.82 10.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 29.7 t -164.85 137.43 4.57 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.76 -175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.21 -12.67 60.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.83 -37.02 13.19 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.021 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HB3' ' A' ' 44' ' ' SER . 63.7 m-85 -146.02 129.46 16.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.56 -173.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.751 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 16.9 m-20 -102.26 -24.51 13.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.078 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 63' ' ' GLU . 29.2 m-85 -134.09 158.59 43.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 111.597 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -110.55 113.89 26.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 171.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HB ' ' HD2' ' A' ' 61' ' ' PHE . 67.4 t -109.81 125.59 66.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -172.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -87.28 109.91 19.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.539 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.59 150.35 47.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.94 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.62 -21.46 62.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.1 p -77.56 -9.05 58.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 111.358 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.85 14.62 36.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.613 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -104.51 117.94 35.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -83.92 118.22 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.923 0.392 . . . . 0.0 110.259 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.3 m -124.06 162.09 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.962 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.74 134.86 47.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 74.7 m-85 -137.98 163.68 30.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 111.322 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 6.4 ttpm? -114.22 161.5 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 45.5 mt-10 -53.39 -30.65 41.06 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -75.15 -21.48 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.536 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mp0 -95.11 -2.31 50.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 18' ' ' VAL . 91.2 mt -122.27 150.03 42.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 112.118 -174.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -129.89 121.52 19.95 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.541 175.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 26.5 Cg_endo -62.71 143.01 91.46 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.53 2.153 . . . . 0.0 113.139 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD12 ' HB1' ' A' ' 17' ' ' ALA . 95.6 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.135 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 3.0 m . . . . . 0 C--O 1.237 0.44 0 CA-C-O 121.193 0.521 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 63' ' ' GLU . 50.4 m-85 -99.09 128.16 32.85 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD2' HD22 ' A' ' 16' ' ' LEU . 96.5 Cg_endo -78.18 175.51 11.04 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.913 2.409 . . . . 0.0 112.83 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 139.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.708 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 37' ' ' LYS . . . 94.42 -0.03 65.46 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.824 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -85.73 128.87 34.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.781 0.324 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 129.49 35.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.792 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.8 m -136.08 155.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.984 0.421 . . . . 0.0 110.516 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.507 ' HG3' HD21 ' A' ' 69' ' ' LEU . 33.4 mt-10 -112.73 122.95 49.18 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 61' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.314 -0.966 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.706 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.7 mtm180 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -91.27 120.48 32.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.09 165.25 24.05 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.276 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 15.9 tppt? -114.04 122.01 45.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.257 -0.472 . . . . 0.0 110.178 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 51' ' ' VAL . 69.1 mt -70.65 115.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' HB2' ' A' ' 52' ' ' SER . 33.3 pt -118.0 -14.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -170.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 38.4 tt0 -156.28 142.09 17.93 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.669 -175.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -96.29 138.83 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.024 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.22 164.15 14.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -122.27 25.61 8.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.322 0.582 . . . . 0.0 109.777 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -77.4 165.25 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.095 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.03 -18.66 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.124 0.488 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 p -86.74 -44.57 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.174 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.443 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 45.2 m-85 -143.28 138.0 29.26 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 1.8 m-20 -102.08 -12.63 17.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.173 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.703 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 64.7 m-85 -130.98 152.66 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.316 . . . . 0.0 111.365 -174.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -117.12 109.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 20' ' ' ILE . 58.9 t -107.69 127.58 63.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -174.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.459 ' HB2' HD13 ' A' ' 39' ' ' ILE . 23.2 t -90.1 109.96 20.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.52 169.11 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.512 . . . . 0.0 111.504 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.53 -11.75 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.514 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -76.8 -22.67 53.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.03 -8.09 55.44 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.854 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.54 153.3 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.62 118.9 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.655 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.4 m -116.46 139.86 49.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -91.47 135.22 34.0 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 80.8 m-85 -140.08 167.8 21.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.146 0.498 . . . . 0.0 111.126 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 38.6 mttm -104.99 154.32 20.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.703 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.9 pt-20 -62.32 -17.98 60.18 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.646 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -55.39 -34.53 64.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -113.89 28.25 8.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.478 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.38 118.67 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.7 m -99.4 119.39 60.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 18' ' ' VAL . 60.4 Cg_endo -72.45 139.2 31.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.409 2.072 . . . . 0.0 112.624 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 19' ' ' GLU . 96.6 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.988 175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.424 0.154 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 85.4 m-85 -70.11 117.03 50.36 Favored Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HD2' HD22 ' A' ' 16' ' ' LEU . 82.0 Cg_endo -80.31 156.11 22.32 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.493 2.129 . . . . 0.0 112.898 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.0 130.82 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.749 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.12 2.19 51.5 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.748 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.5 tp -88.94 136.16 33.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.21 131.52 34.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.136 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 68' ' ' PRO . 34.9 m -138.9 170.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 35' ' ' LYS . 9.7 pt-20 -141.5 158.6 43.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.988 0.423 . . . . 0.0 110.156 170.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 3.8 mp . . . . . 0 C--N 1.318 -0.799 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.391 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.628 ' HG2' ' HB3' ' A' ' 19' ' ' GLU . 53.7 mttp -102.74 151.66 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 -174.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.64 178.28 36.71 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.757 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -129.67 129.66 44.55 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 51' ' ' VAL . 67.3 mt -66.42 128.99 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.291 -178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' SER . 26.1 pt -115.92 -13.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 161.24 24.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.199 0.523 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -98.08 125.46 43.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.88 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' TYR . 52.7 mt -83.24 143.93 30.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.299 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -96.13 18.03 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.783 0.801 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 21.7 m -98.71 154.68 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.944 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.21 -25.06 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -40.76 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . 94.3 m-85 -137.21 125.9 23.86 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -9.51 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.638 ' CE1' ' HB2' ' A' ' 12' ' ' TYR . 79.5 m-85 -136.78 144.02 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.984 -177.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.96 111.08 23.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.352 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 38' ' ' ILE . 53.1 t -103.57 127.04 57.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.608 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 9.6 t -95.63 107.37 19.56 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.0 m-20 -59.28 158.2 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.849 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.92 -24.95 56.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.641 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -84.2 -2.56 57.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.976 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.27 15.65 43.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.298 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 2.7 m-20 -83.66 167.38 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.621 0.248 . . . . 0.0 110.528 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.0 mt -132.32 94.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -116.83 141.52 48.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CD1' HD11 ' A' ' 42' ' ' LEU . 24.9 m-85 -96.23 134.65 39.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.157 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.434 ' CZ ' HG12 ' A' ' 20' ' ' ILE . 50.8 m-85 -141.41 173.91 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.001 0.429 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HG2' ' OE1' ' A' ' 63' ' ' GLU . 54.0 tttp -113.22 159.52 19.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -51.23 -33.25 27.1 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -177.23 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -74.11 -27.2 60.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.78 2.28 55.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.87 0.366 . . . . 0.0 111.009 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.07 128.8 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.526 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 m -110.59 117.0 51.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.064 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.535 ' HA ' HG12 ' A' ' 18' ' ' VAL . 37.3 Cg_endo -66.85 137.0 43.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.907 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.497 179.27 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.518 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 13.9 p . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.045 0.45 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.8 m-85 -97.12 132.11 26.3 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.202 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.8 Cg_exo -75.47 164.36 32.64 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.984 2.456 . . . . 0.0 113.189 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 41' ' ' HIS . 69.4 t -83.61 143.09 12.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.857 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.8 3.45 60.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.942 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -107.05 141.73 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.49 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.0 m -135.38 148.7 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.226 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -109.62 144.3 38.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.02 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 7.7 ttpm? -126.22 129.9 49.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -136.24 -166.42 10.9 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.22 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.02 134.6 30.07 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.88 119.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 52' ' ' SER . 37.6 pt -114.42 -12.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.57 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.5 tp10 -154.94 149.92 26.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.275 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 14' ' ' VAL . 23.4 m170 -103.87 108.46 19.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.788 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.37 124.39 28.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -84.99 80.71 9.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.607 0.718 . . . . 0.0 110.129 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -146.98 177.15 9.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.437 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.5 -9.25 12.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -95.54 -45.59 7.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.252 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.3 122.07 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.495 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -109.62 -11.24 14.79 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -171.364 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' HH ' ' N ' ' A' ' 11' ' ' SER . 90.0 m-85 -128.27 137.87 52.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.142 0.496 . . . . 0.0 111.954 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.02 107.47 18.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.8 t -101.32 122.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.26 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 39' ' ' ILE . 27.6 t -89.56 103.65 16.28 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.41 161.52 22.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 15.1 pt-20 -73.97 -7.94 54.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.982 0.42 . . . . 0.0 110.545 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.3 p -75.63 -20.77 58.28 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.225 0.535 . . . . 0.0 109.913 169.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.36 -3.05 40.02 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.287 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -88.06 146.36 25.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -104.63 103.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.1 m -114.97 144.5 43.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.03 0.443 . . . . 0.0 110.586 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.62 132.0 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.94 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.14 178.01 7.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.322 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 57.2 tttp -123.26 161.98 23.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.124 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 29.4 tt0 -48.86 -35.48 14.77 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -65.51 -44.93 85.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.2 pm0 -91.69 1.9 56.84 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -174.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.72 134.14 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.921 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.7 m -121.77 116.85 30.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.92 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.531 ' HA ' HG12 ' A' ' 18' ' ' VAL . 59.1 Cg_endo -71.78 141.77 38.06 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.81 2.34 . . . . 0.0 112.728 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.683 178.081 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -116.81 129.78 25.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HD2' HD22 ' A' ' 16' ' ' LEU . 72.9 Cg_endo -76.4 173.61 14.2 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.158 2.572 . . . . 0.0 113.966 -173.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -87.71 138.76 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.841 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.14 -5.47 68.35 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.963 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 68' ' ' PRO . 62.5 tp -74.6 130.66 39.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.652 0.263 . . . . 0.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 119.68 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.057 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.3 m -126.41 146.21 32.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.009 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' OE2' ' HB ' ' A' ' 67' ' ' THR . 0.7 OUTLIER -102.13 145.97 28.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.469 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.41 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -97.72 123.46 41.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.87 175.6 19.95 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.597 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -128.18 125.6 39.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.82 122.87 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.889 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 52' ' ' SER . 35.7 pt -118.13 -5.68 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.8 tp10 -160.73 157.88 27.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -113.14 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.587 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.22 127.53 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.731 0.301 . . . . 0.0 110.952 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -82.99 81.67 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.015 0.912 . . . . 0.0 109.545 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -154.9 178.66 9.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.08 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.74 -0.13 10.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -96.63 -38.51 9.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.9 137.19 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -95.51 -40.14 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.05 0.453 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 55.7 m-85 -131.07 154.59 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.062 0.458 . . . . 0.0 111.947 -170.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -112.64 115.42 28.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -108.04 136.01 44.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.506 ' HB2' HD13 ' A' ' 39' ' ' ILE . 15.1 t -99.3 104.24 16.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.4 m-20 -70.51 165.94 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.769 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.11 -22.55 66.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.391 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -83.03 -5.65 59.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.86 14.17 55.44 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 1.5 m-20 -81.16 142.45 33.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.683 0.278 . . . . 0.0 110.589 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.67 88.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 167.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -105.66 141.71 36.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.378 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.77 127.67 47.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -134.02 175.77 9.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 62' ' ' LYS . 12.8 mtpp -103.85 173.67 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.624 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 10.2 pt-20 -49.36 -42.41 41.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.698 -1.137 . . . . 0.0 113.623 -177.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' ND1' ' HG3' ' A' ' 63' ' ' GLU . 66.8 m80 -94.76 1.71 55.46 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -172.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -93.34 -0.62 56.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.8 mt -125.89 126.93 45.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.611 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.489 ' HB ' ' OE2' ' A' ' 19' ' ' GLU . 93.9 m -109.89 116.88 53.22 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.25 175.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -65.12 129.67 23.59 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 0.0 112.595 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.034 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.939 0.4 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 82.9 m-85 -108.73 101.27 43.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.834 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.57 159.91 50.39 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.105 2.537 . . . . 0.0 112.829 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.3 133.87 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.95 -9.88 51.48 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.1 132.73 39.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 110.316 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.69 124.5 30.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.5 m -136.69 154.26 31.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.376 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.97 156.75 20.06 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.213 -179.062 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.602 0.239 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 65.1 mmtt -118.81 140.54 49.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.95 -174.65 26.02 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.417 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -138.53 133.62 32.84 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' VAL . 69.6 mt -72.62 121.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.187 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 pt -110.43 -21.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.689 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.0 mm-40 -146.56 148.44 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 111.489 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -101.74 126.09 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.42 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 48' ' ' ASP . 91.0 mt -93.95 -170.79 2.4 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.81 42.39 2.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.558 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 40.7 t -114.55 160.25 19.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.24 -172.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.57 -9.67 20.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.316 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 p -94.27 -51.37 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.205 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 44' ' ' SER . 95.0 m-85 -143.94 121.21 11.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 42' ' ' LEU . 21.8 t70 -117.35 3.02 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.145 0.498 . . . . 0.0 112.158 -166.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.557 ' HE1' ' HB3' ' A' ' 63' ' ' GLU . 93.3 m-85 -130.27 143.85 51.02 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.153 -0.342 . . . . 0.0 110.307 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -108.66 114.86 29.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.483 HG22 HG12 ' A' ' 38' ' ' ILE . 66.7 t -115.4 127.91 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -91.53 111.84 23.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.724 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.7 156.38 39.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 49.6 mt-10 -66.59 -10.16 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 p -78.86 -5.81 54.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.159 0.504 . . . . 0.0 110.194 172.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.97 61.95 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.543 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.84 137.05 37.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -98.15 104.95 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.855 0.36 . . . . 0.0 110.158 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -114.07 148.72 36.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.879 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' HD11 ' A' ' 42' ' ' LEU . 47.1 m-85 -97.49 129.98 44.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.44 171.24 12.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.171 0.51 . . . . 0.0 110.978 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -104.16 162.6 13.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.216 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 49' ' ' TYR . 10.5 pt-20 -59.66 -33.33 71.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -90.36 -12.37 37.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.653 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.89 10.82 14.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.533 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.17 152.13 51.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.581 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.1 m -130.98 120.55 18.42 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 18' ' ' VAL . 51.4 Cg_endo -69.0 137.86 38.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.106 2.537 . . . . 0.0 112.805 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.089 -175.903 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.89 124.96 38.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.64 0.257 . . . . 0.0 110.425 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.2 Cg_endo -79.6 172.62 14.11 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.081 2.521 . . . . 0.0 113.293 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 41' ' ' HIS . 75.1 t -78.46 141.05 15.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.601 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.6 5.37 61.6 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.739 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 ' HD2' ' A' ' 13' ' ' PRO . 43.3 tp -94.55 131.32 40.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -88.46 126.11 35.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.2 m -132.63 154.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.478 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' A' ' 69' ' ' LEU . 17.0 pt-20 -105.64 142.45 35.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.057 0.456 . . . . 0.0 109.883 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.51 135.06 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 53' ' ' ASP . . . -143.53 -179.53 20.2 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.699 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -125.57 132.6 52.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.658 0.266 . . . . 0.0 110.452 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.9 mt -70.2 115.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.858 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 pt -106.26 -25.17 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.412 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 10.3 mm-40 -136.34 151.34 49.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.286 -176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' HG23 ' A' ' 14' ' ' VAL . 15.9 m170 -107.12 126.41 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -101.69 34.32 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.875 0.845 . . . . 0.0 109.046 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -81.49 175.85 10.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.778 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.8 -0.3 15.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 m -107.09 -36.77 6.49 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.625 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -138.31 141.33 39.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.725 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.34 -41.02 13.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.794 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.632 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 23.2 m-85 -134.67 163.1 30.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.376 0.608 . . . . 0.0 112.291 -168.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -114.57 116.38 28.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.217 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.11 124.27 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.336 -173.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 t -100.69 111.18 23.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.563 ' HA ' ' HA2' ' A' ' 36' ' ' GLY . 0.8 OUTLIER -78.73 173.11 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.185 0.517 . . . . 0.0 112.169 -173.678 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.22 -29.12 65.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.557 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 -6.01 59.34 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.83 -7.92 57.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.995 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.45 137.56 32.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.359 0.6 . . . . 0.0 111.243 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.11 132.85 52.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.859 -174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.3 m -136.21 144.66 45.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.272 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CD1' HD11 ' A' ' 42' ' ' LEU . 33.7 m-85 -87.19 136.93 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -140.02 174.7 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 111.288 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -110.84 165.61 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.443 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.632 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -76.02 5.77 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.112 0.482 . . . . 0.0 111.506 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -95.64 -17.96 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.187 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -110.47 -7.39 14.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.934 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 18' ' ' VAL . 91.7 mt -105.9 130.03 53.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 111.905 -173.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 m -110.05 119.49 47.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.721 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 18' ' ' VAL . 20.0 Cg_endo -61.0 134.91 55.75 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.537 2.158 . . . . 0.0 112.026 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 19' ' ' GLU . 87.0 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 110.753 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 31.2 m-85 -100.18 130.71 25.45 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.645 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 4.0 Cg_exo -75.32 161.62 37.54 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.977 2.451 . . . . 0.0 112.459 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.5 139.58 19.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.794 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.03 -12.79 60.62 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.985 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.46 121.35 21.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.84 0.352 . . . . 0.0 110.604 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.31 123.59 27.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.084 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.0 m -134.16 153.78 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.961 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.48 139.4 37.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.096 0.474 . . . . 0.0 110.291 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.566 HD11 HG11 ' A' ' 51' ' ' VAL . 2.1 mp . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.916 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.83 119.29 25.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 170.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.35 -175.95 14.13 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.026 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -129.1 131.81 47.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.646 0.26 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 49' ' ' TYR . 74.3 mt -70.81 115.06 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.763 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.98 -16.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.744 0.307 . . . . 0.0 111.387 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 mm-40 -143.0 134.46 26.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -89.36 95.95 10.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.089 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.53 128.39 35.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -102.05 85.16 2.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.896 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -151.58 -176.4 5.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.758 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.81 -9.29 14.82 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.78 -42.53 9.08 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.411 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -141.3 139.44 33.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.604 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 m-20 -108.43 -14.68 14.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 71.8 m-85 -140.62 143.67 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 111.535 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -109.83 116.42 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG11 HD11 ' A' ' 20' ' ' ILE . 48.4 t -111.1 132.38 59.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.259 -172.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.3 m -90.36 106.25 18.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.73 162.09 29.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 111.446 -173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.73 -14.87 16.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.55 173.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -70.26 -30.99 68.17 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.17 -12.68 16.75 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.046 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -95.3 171.54 8.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.798 0.333 . . . . 0.0 110.5 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 64.0 mt -117.56 117.57 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.58 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m -117.78 147.58 42.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.38 134.26 37.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 77.0 m-85 -142.8 176.34 9.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.239 0.542 . . . . 0.0 110.815 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 48' ' ' ASP . 31.0 mtpt -116.61 163.31 16.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.882 172.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.66 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 10.4 pt-20 -64.58 -7.8 11.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.997 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -62.58 -29.07 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.534 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -134.02 32.37 3.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 111.553 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -117.08 121.6 41.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.187 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.6 m -114.04 119.68 40.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 18' ' ' VAL . 21.4 Cg_exo -65.07 144.2 81.16 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.437 2.091 . . . . 0.0 111.573 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.898 179.274 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 121.049 0.452 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.8 m-85 -115.59 137.79 23.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.308 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.7 Cg_exo -74.5 176.13 10.12 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.886 2.39 . . . . 0.0 112.905 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.59 133.37 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.855 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.19 53.38 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.237 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.07 133.54 33.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.724 0.297 . . . . 0.0 110.398 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.96 132.04 34.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.302 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.7 m -140.39 147.24 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.392 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 36.6 mt-10 -102.99 144.03 31.8 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.1 mp . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.008 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 59.3 mttm -97.5 145.37 26.29 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.513 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.35 -171.75 25.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.084 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.92 140.55 25.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 49' ' ' TYR . 82.8 mt -76.32 114.46 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 pt -108.04 -12.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.612 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 8.5 tp10 -154.42 154.27 32.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 111.252 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -100.62 137.29 39.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.59 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.57 151.39 48.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 111.252 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -125.19 69.4 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.067 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 46' ' ' THR . 32.7 t -104.14 15.11 29.16 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -175.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.7 -42.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.521 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.497 ' H ' ' C ' ' A' ' 44' ' ' SER . 66.7 p -92.46 -33.05 14.66 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.271 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -127.36 140.51 52.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -106.99 -17.2 14.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.689 -176.344 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.895 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 78.2 m-85 -139.58 152.59 46.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.911 0.386 . . . . 0.0 111.761 -173.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -104.83 116.37 31.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.9 t -108.19 129.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.191 0.519 . . . . 0.0 111.695 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -94.42 117.18 29.73 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.084 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 57' ' ' ASP . 7.5 t70 -65.37 175.99 1.55 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.679 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HG2' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -91.84 -13.22 31.75 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -178.751 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -84.43 -23.13 30.13 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 112.417 -2.174 . . . . 0.0 110.202 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.5 11.83 26.22 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.065 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' ASP . 27.0 t70 -90.49 140.19 29.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -106.03 113.05 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -136.9 144.27 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.955 0.407 . . . . 0.0 110.745 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -84.73 138.31 32.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.691 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -137.26 171.81 13.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.619 . . . . 0.0 111.806 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 9.1 tmtm? -119.71 136.1 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.895 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -67.95 -5.26 16.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -168.359 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' H ' ' HD3' ' A' ' 62' ' ' LYS . 38.5 t-80 -79.45 -27.37 41.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -111.35 24.06 13.28 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.847 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 63' ' ' GLU . 78.4 mt -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.963 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.6 m -124.56 109.3 28.58 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.22 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HA ' HG12 ' A' ' 18' ' ' VAL . 31.8 Cg_endo -64.41 151.81 84.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.082 2.521 . . . . 0.0 113.299 -175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 19' ' ' GLU . 90.5 mt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.662 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 33.3 m-85 -92.66 120.59 67.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.495 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.1 Cg_exo -72.08 165.31 32.99 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.064 2.509 . . . . 0.0 112.407 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.85 119.39 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.09 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.3 -6.15 19.19 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.133 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.9 tp -77.99 126.48 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.786 0.327 . . . . 0.0 110.347 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.46 120.26 25.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.548 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.2 m -130.97 142.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.3 pt-20 -102.15 162.18 13.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.194 0.521 . . . . 0.0 111.014 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.9 mp . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.444 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.661 ' HB3' ' OD1' ' A' ' 53' ' ' ASP . 23.5 mmm180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 57.1 mttm -129.58 115.97 18.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.132 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 53' ' ' ASP . . . -126.26 -167.36 12.42 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.01 134.13 38.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.697 0.284 . . . . 0.0 110.239 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 51' ' ' VAL . 75.1 mt -76.81 119.46 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.51 -17.56 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 38.4 mt-10 -142.05 154.29 44.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.897 0.38 . . . . 0.0 111.169 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -109.02 126.57 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.538 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 134.82 44.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -91.63 84.42 5.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.749 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.1 t -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.916 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.62 -7.18 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.66 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 8.4 p -109.2 -31.91 7.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' SER . 28.9 m-85 -133.36 119.64 19.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.7 m-20 -96.84 -27.37 14.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.627 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 75.7 m-85 -134.64 153.3 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.224 0.535 . . . . 0.0 112.163 -171.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -107.74 112.51 25.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.025 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 38' ' ' ILE . 59.1 t -110.57 118.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -98.08 114.97 27.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.067 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 20.9 t70 -64.27 160.91 17.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.065 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.3 -24.9 61.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p -73.59 -15.59 61.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.036 0.446 . . . . 0.0 111.386 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.33 43.71 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.989 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.41 113.01 13.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.645 0.259 . . . . 0.0 110.704 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.83 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.879 0.371 . . . . 0.0 110.105 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.52 166.65 14.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.065 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.0 m-85 -122.04 130.52 53.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -143.18 -179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.071 0.462 . . . . 0.0 111.492 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' THR . 0.7 OUTLIER -105.05 159.11 16.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.538 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.744 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.87 -35.32 70.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -68.96 -29.66 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 0.0 111.539 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.77 10.22 39.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.32 125.51 49.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.8 m -114.76 114.97 44.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HA ' HG12 ' A' ' 18' ' ' VAL . 22.5 Cg_exo -64.11 140.76 73.34 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.619 2.212 . . . . 0.0 112.005 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.712 179.664 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 26.4 m . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.681 0.277 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.585 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 97.4 m-85 -96.49 107.23 34.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 11' ' ' SER . 12.1 Cg_exo -70.65 149.38 61.11 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.888 2.392 . . . . 0.0 112.174 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.35 113.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.036 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.87 -6.61 13.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.05 125.92 32.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.768 0.318 . . . . 0.0 110.46 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.83 130.82 36.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.877 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.7 m -133.47 160.37 42.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.1 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -112.81 148.03 35.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.803 0.335 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.849 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 81.6 tttt -105.58 134.53 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.494 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.49 174.24 22.37 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -129.7 135.68 48.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.869 0.334 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.692 HD13 HG22 ' A' ' 51' ' ' VAL . 44.1 mm -62.23 123.36 14.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 pt -117.66 -17.9 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.056 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -162.04 157.7 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.855 0.36 . . . . 0.0 110.689 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -101.88 129.6 48.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.734 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.47 158.72 16.16 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -119.75 81.06 1.67 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.679 0.752 . . . . 0.0 109.43 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.65 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 41.9 t -141.44 150.3 42.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.032 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -26.06 59.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.369 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -91.58 -43.37 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.246 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.661 ' CD1' ' HA ' ' A' ' 61' ' ' PHE . 37.9 m-85 -140.2 119.92 13.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.588 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.96 5.81 28.57 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.895 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.82 ' HE2' ' HG3' ' A' ' 63' ' ' GLU . 98.9 m-85 -136.36 145.66 45.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.24 0.543 . . . . 0.0 111.917 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.95 111.82 21.74 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.692 HG22 HD13 ' A' ' 38' ' ' ILE . 21.8 t -109.84 154.53 11.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.891 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 p -118.6 117.13 28.13 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.81 149.04 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.876 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 10.1 pt-20 -64.36 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.197 0.522 . . . . 0.0 110.451 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -81.1 -12.64 59.23 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.37 1.98 41.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.362 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.71 171.08 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.9 mt -118.15 126.78 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.481 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.776 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -106.39 92.3 4.07 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.933 -177.576 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.9 101.02 13.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.776 ' CE1' HG22 ' A' ' 59' ' ' THR . 85.6 m-85 -142.24 -176.11 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG2' ' OE2' ' A' ' 63' ' ' GLU . 2.5 tttm -114.05 -179.63 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.82 ' HG3' ' HE2' ' A' ' 49' ' ' TYR . 2.6 mp0 -49.67 -36.7 25.82 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.762 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -74.29 -26.32 60.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -93.62 -6.75 45.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.024 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 mt -116.78 146.42 42.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -173.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -137.32 124.05 13.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.177 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 51.0 Cg_endo -70.47 152.21 65.48 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.059 1.84 . . . . 0.0 112.261 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.222 0.534 . . . . 0.0 110.644 179.858 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.69 121.18 53.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD22 ' A' ' 16' ' ' LEU . 21.9 Cg_exo -65.83 167.11 18.34 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 123.303 2.669 . . . . 0.0 113.165 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.47 133.2 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.17 9.15 58.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.386 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.536 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.8 tp -82.19 120.92 25.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -75.7 122.3 23.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 68' ' ' PRO . 28.1 m -131.97 164.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.146 0.498 . . . . 0.0 111.045 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -123.28 149.92 44.17 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.5 mp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.704 ' HG2' HD21 ' A' ' 69' ' ' LEU . 3.1 mtmm -118.65 159.67 23.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.056 0.455 . . . . 0.0 111.503 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.5 -168.04 24.87 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.243 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -147.57 128.78 14.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.678 0.275 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.82 118.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.823 HG13 ' HG2' ' A' ' 40' ' ' GLU . 29.6 pt -113.5 -17.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.823 ' HG2' HG13 ' A' ' 39' ' ' ILE . 63.6 mm-40 -131.97 142.88 49.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.125 -174.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -99.27 97.47 8.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.78 111.93 16.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -79.82 77.41 6.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.04 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.4 t -137.51 172.27 13.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.719 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.91 17.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.398 0.618 . . . . 0.0 109.651 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -90.97 -56.55 3.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.748 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -117.18 142.49 46.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.756 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -102.83 -31.22 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.436 . . . . 0.0 110.582 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 58.2 m-85 -135.79 151.13 49.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 111.481 -174.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -111.87 116.89 31.39 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.93 130.81 47.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.691 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.47 ' HB2' HD13 ' A' ' 39' ' ' ILE . 29.8 t -89.41 100.51 13.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 4.9 m-20 -60.1 149.96 31.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.74 -27.56 65.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.074 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -81.72 0.68 37.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.722 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.18 -0.26 60.16 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 11.9 m-20 -81.22 169.24 17.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.561 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -134.22 104.85 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.2 m -112.37 137.86 49.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.397 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -89.98 131.49 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.092 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.62 -177.38 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.961 0.41 . . . . 0.0 110.771 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.632 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 31.8 tttp -122.59 168.18 12.48 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 49' ' ' TYR . 8.7 pt-20 -53.0 -35.31 59.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -173.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -100.21 9.85 42.14 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.887 -173.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.632 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 5.7 mp0 -101.89 -11.47 18.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.412 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.11 144.83 43.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.548 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -133.97 120.86 15.45 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.815 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' HG12 ' A' ' 18' ' ' VAL . 19.3 Cg_endo -58.64 148.42 82.24 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.777 2.318 . . . . 0.0 112.479 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 35' ' ' LYS . 85.3 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 110.6 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 7.2 p . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.076 0.465 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.5 m-85 -94.78 124.81 53.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.006 -175.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 16.0 Cg_exo -68.16 165.24 29.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.053 2.502 . . . . 0.0 112.543 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.71 138.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.266 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.2 55.01 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.15 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 68' ' ' PRO . 52.6 tp -88.63 128.89 35.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 0.0 110.537 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.21 130.28 35.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.404 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.524 HG21 HD13 ' A' ' 66' ' ' LEU . 20.1 m -136.29 144.53 32.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.494 -176.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -101.71 146.18 28.11 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.479 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 34' ' ' ARG . 30.8 mtp180 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 9.7 mtmp? -103.0 141.6 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.107 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.18 -177.52 15.02 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.358 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 33.4 ttpt -136.63 121.61 18.87 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.98 122.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.014 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.57 -19.48 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 33.5 tt0 -149.09 139.09 22.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.924 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -88.84 117.26 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 50' ' ' ALA . 79.9 mt -85.34 135.55 33.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.586 -176.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -87.62 17.22 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.051 0.453 . . . . 0.0 110.457 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.3 t -84.67 174.05 10.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.118 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.68 -9.83 13.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.39 -39.46 12.66 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.567 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.49 127.46 35.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.82 -31.41 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.413 ' HH ' ' N ' ' A' ' 11' ' ' SER . 87.3 m-85 -133.76 154.02 51.28 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.284 0.564 . . . . 0.0 112.384 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.19 115.94 30.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.89 130.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 p -83.85 103.12 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.543 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.27 158.83 8.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.645 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 25.7 tt0 -57.68 -25.38 60.19 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.782 0.433 . . . . 0.0 111.601 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 p -79.93 -9.24 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.033 0.444 . . . . 0.0 111.341 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.24 -3.52 61.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.302 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.35 136.33 36.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.49 0.186 . . . . 0.0 110.583 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.2 109.82 20.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 5.9 m -116.75 145.25 43.61 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -92.57 133.63 35.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 91.6 m-85 -136.23 171.66 14.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.965 0.412 . . . . 0.0 110.275 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 24.1 mtpp -106.55 -178.09 3.55 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.81 20.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 176.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -92.02 -40.31 11.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.511 ' OE1' ' HB2' ' A' ' 62' ' ' LYS . 16.9 mp0 -82.17 -13.41 57.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.4 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 18' ' ' VAL . 60.6 mt -107.07 137.84 44.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.173 0.511 . . . . 0.0 112.128 -171.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -123.5 124.8 26.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.876 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -64.51 131.9 31.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.167 2.578 . . . . 0.0 112.552 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.475 179.003 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.124 0.487 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 97.5 m-85 -95.75 109.58 46.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.896 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' HD22 ' A' ' 16' ' ' LEU . 92.8 Cg_endo -80.82 168.13 17.82 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.877 2.385 . . . . 0.0 113.104 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.3 140.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.986 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.22 24.76 35.93 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.172 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.9 tp -107.84 124.33 49.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.67 124.67 30.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 26.8 m -133.91 148.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.69 122.67 41.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.428 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 2.8 mp . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -100.86 99.15 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.89 -178.59 15.77 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.405 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -130.24 129.56 43.48 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' TYR . 59.8 mt -66.01 132.42 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.222 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -119.8 -30.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 42.2 tt0 -141.82 143.21 33.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.648 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.76 130.78 39.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -112.5 134.25 54.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 0.0 110.989 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -100.72 89.64 3.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.532 0.682 . . . . 0.0 109.668 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.541 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 44.3 t -151.07 -179.52 7.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.425 -175.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.32 4.16 9.72 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 m -120.49 -30.78 4.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.831 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 44' ' ' SER . 66.5 m-85 -148.62 115.59 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.64 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.3 m-20 -104.2 -16.61 15.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.731 0.3 . . . . 0.0 111.391 -168.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.777 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 94.7 m-85 -144.18 153.17 41.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.72 118.11 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.357 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.9 133.26 58.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -96.64 107.27 19.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.82 148.71 48.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.75 -20.55 35.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.661 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 t -70.54 -17.98 62.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.365 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.99 7.1 33.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.213 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.2 160.87 13.99 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.6 mt -122.65 114.75 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.547 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -124.48 142.69 51.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.887 0.375 . . . . 0.0 110.645 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' ' HB3' ' A' ' 47' ' ' TYR . 6.6 m-30 -89.54 140.71 29.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 82.4 m-85 -143.37 175.64 9.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -176.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 21.4 ttmm -113.51 155.34 25.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.061 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.777 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 8.1 pt-20 -57.96 -19.72 32.5 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.745 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -75.26 -25.91 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.479 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 10.1 mp0 -111.82 30.58 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 91.5 mt -121.31 120.92 36.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 111.539 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -124.73 109.32 28.21 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 31.6 Cg_endo -63.98 144.77 88.72 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.829 2.353 . . . . 0.0 112.848 -177.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.643 178.848 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.232 0.145 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.852 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 94.8 m-85 -102.53 105.77 45.74 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-O 120.933 0.396 . . . . 0.0 110.28 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.57 166.8 28.28 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.132 2.555 . . . . 0.0 112.27 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.62 129.68 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.85 11.72 49.18 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.126 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -91.32 130.29 37.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.777 0.323 . . . . 0.0 110.224 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.66 120.41 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.038 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.7 m -129.62 166.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.358 0.599 . . . . 0.0 111.066 -176.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 67' ' ' THR . 15.2 pt-20 -115.19 137.58 51.86 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.939 173.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 34' ' ' ARG . 2.9 mp . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.738 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 7.2 tpt180 . . . . . 0 C--O 1.226 -0.177 0 N-CA-C 110.884 -0.043 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 37.4 mttp -102.22 139.77 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.67 170.97 31.82 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.177 -1.011 . . . . 0.0 113.16 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' OG ' ' A' ' 52' ' ' SER . 20.4 tptm -130.37 118.94 21.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.1 mt -74.95 119.88 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.559 0.218 . . . . 0.0 110.602 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 ' HG3' ' A' ' 40' ' ' GLU . 22.0 pt -116.48 -26.15 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 42.3 mt-10 -136.11 153.98 51.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.054 -175.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -113.8 111.13 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.062 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 60' ' ' TYR . 42.7 mt -89.03 -45.23 9.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 10.5 t-80 68.13 91.99 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.804 0.69 . . . . 0.0 109.746 -171.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.723 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.5 t -157.04 151.18 24.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.468 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.4 -21.36 64.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -108.95 -36.44 6.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.988 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' O ' ' HB3' ' A' ' 44' ' ' SER . 16.8 p90 -144.5 116.4 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.224 0.535 . . . . 0.0 111.393 -177.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 20.4 m-20 -101.17 -10.71 20.16 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.027 -0.421 . . . . 0.0 111.629 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.745 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 42.2 m-85 -128.81 142.88 50.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -175.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -105.82 123.68 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.72 124.22 71.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.07 -172.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 37' ' ' LYS . 35.9 p -85.22 104.83 15.44 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.18 164.22 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.975 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 35' ' ' LYS . 14.7 pt-20 -63.8 -16.07 60.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.631 175.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.3 p -88.51 -7.75 56.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.222 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.94 0.13 66.45 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.1 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.31 150.32 21.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -99.61 112.4 31.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.938 0.399 . . . . 0.0 111.292 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.7 p -101.98 170.99 7.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CD1' HD11 ' A' ' 42' ' ' LEU . 73.5 m-85 -134.27 114.52 13.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.792 0.33 . . . . 0.0 110.196 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.04 174.3 10.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.058 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 34.4 tttp -104.87 164.2 11.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.745 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.0 pt-20 -64.59 -29.37 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -172.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -69.27 -35.18 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.399 0.618 . . . . 0.0 110.208 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.602 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 19.9 mp0 -86.14 8.42 21.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.356 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.9 135.47 55.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.9 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.1 m -135.07 130.67 19.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.852 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 42.9 Cg_endo -67.25 148.47 80.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.269 1.979 . . . . 0.0 112.521 -175.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.442 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.159 0.504 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.505 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 5.7 m-85 -102.51 134.69 19.8 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -176.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.7 Cg_endo -85.67 179.66 3.78 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.091 2.527 . . . . 0.0 112.971 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.14 140.68 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.199 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.08 63.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.1 tp -91.71 127.51 37.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.68 130.64 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 68' ' ' PRO . 25.4 m -139.87 153.19 22.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 37.3 mt-10 -107.47 149.27 28.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 34' ' ' ARG . 2.0 mp . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HB3' HD13 ' A' ' 20' ' ' ILE . 18.2 tpt180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HG2' ' HG2' ' A' ' 19' ' ' GLU . 41.4 mttp -100.9 149.8 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.575 0.226 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.69 -172.36 30.05 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.305 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -145.22 138.53 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.537 0.208 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.3 mt -75.18 120.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.49 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 52' ' ' SER . 36.5 pt -121.99 -0.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.88 156.97 25.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -108.5 128.7 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -123.86 169.14 11.88 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -151.07 95.24 2.16 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 170.758 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -142.99 168.95 18.49 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.583 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.36 -8.38 59.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.11 0.481 . . . . 0.0 110.408 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 p -109.55 -36.15 6.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.198 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.741 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -158.46 149.84 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 52.4 m-20 -124.47 2.89 8.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.702 0.287 . . . . 0.0 111.46 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 96.5 m-85 -142.92 141.42 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.43 111.18 23.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -106.8 123.91 62.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.734 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.483 ' HB3' HD13 ' A' ' 39' ' ' ILE . 78.2 p -87.3 111.24 20.86 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.03 165.05 2.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.207 0.527 . . . . 0.0 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.22 -11.33 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.305 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -104.22 0.79 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.47 12.6 60.97 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.664 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -87.0 119.06 26.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.87 106.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.812 0.339 . . . . 0.0 110.712 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -120.76 138.66 53.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.453 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 5.0 m-85 -97.98 135.53 39.55 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.48 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.76 169.12 18.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.741 ' HG3' ' HA ' ' A' ' 47' ' ' TYR . 59.2 mttm -97.16 156.83 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 169.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.8 pt-20 -60.14 -21.03 61.11 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -70.22 -22.28 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.547 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -99.79 15.3 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -127.37 142.02 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.0 111.355 -175.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 25.9 m -116.18 120.68 34.79 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.296 173.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 18' ' ' VAL . 7.5 Cg_exo -70.65 132.26 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.783 2.322 . . . . 0.0 112.635 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 19' ' ' GLU . 74.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.028 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 89.3 m-85 -107.14 135.21 19.64 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.806 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 5.3 Cg_exo -79.33 173.51 13.15 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.922 2.415 . . . . 0.0 112.915 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.64 134.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.352 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.81 1.44 45.96 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.064 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -82.86 127.25 33.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.735 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.11 123.85 30.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.199 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.8 m -134.52 159.27 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -175.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB3' HD21 ' A' ' 69' ' ' LEU . 11.0 pt-20 -105.64 152.87 22.58 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 169.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.487 HG12 ' CE2' ' A' ' 61' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.316 -0.863 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -105.1 137.3 43.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.466 . . . . 0.0 110.919 -175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.41 -168.38 14.86 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.007 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -145.44 142.6 29.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.74 112.3 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -97.79 -15.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.436 . . . . 0.0 111.06 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -172.71 150.46 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -105.58 132.48 51.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.458 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.0 mt -91.67 146.41 23.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.556 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -88.35 55.65 3.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 32.4 t -119.85 159.89 23.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.237 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.87 -23.72 18.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 p -87.5 -46.01 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.164 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 44' ' ' SER . 78.2 m-85 -135.11 122.04 21.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -99.13 -9.12 24.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -170.728 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.739 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 84.7 m-85 -136.67 150.82 48.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.862 -0.524 . . . . 0.0 111.58 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.4 113.15 25.39 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.8 122.35 56.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 p -84.13 104.85 14.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.388 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD1' HG22 ' A' ' 55' ' ' THR . 16.7 t70 -73.39 156.5 38.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.62 -20.48 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' OD1' ' A' ' 53' ' ' ASP . 10.4 t -79.64 -9.82 59.69 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.491 0.186 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.4 18.11 37.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.515 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -104.03 132.33 50.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.02 100.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -105.3 142.71 34.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.923 0.392 . . . . 0.0 110.016 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -94.88 126.37 40.16 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CE2' HG12 ' A' ' 20' ' ' ILE . 64.0 m-85 -132.97 173.45 11.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.195 0.522 . . . . 0.0 111.356 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 53.4 tttp -120.96 159.36 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.307 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.739 ' HG2' ' HE1' ' A' ' 49' ' ' TYR . 38.0 mt-10 -51.11 -30.36 16.04 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.815 0.34 . . . . 0.0 111.641 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.09 -29.79 61.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -127.69 29.59 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -173.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -130.85 136.33 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.5 m -138.72 127.41 14.08 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.38 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.522 ' HA ' HG12 ' A' ' 18' ' ' VAL . 18.8 Cg_endo -60.25 145.83 97.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.909 2.406 . . . . 0.0 112.783 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 19' ' ' GLU . 97.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.956 0.407 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.504 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.3 m-85 -127.58 134.25 25.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.692 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.5 Cg_exo -71.34 174.29 11.04 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.989 2.46 . . . . 0.0 112.863 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.19 143.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.458 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.54 10.58 70.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.068 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.0 tp -89.96 123.71 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.668 0.27 . . . . 0.0 110.602 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -82.09 130.04 34.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.946 176.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 68' ' ' PRO . 21.0 m -135.3 153.66 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.26 0.552 . . . . 0.0 112.297 -173.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.6 mm-40 -96.1 120.24 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.605 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.564 HD11 HG11 ' A' ' 51' ' ' VAL . 3.4 mp . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.714 0.293 . . . . 0.0 110.374 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.448 -0.575 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 31.9 mttp -102.36 119.91 39.61 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 172.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.17 -173.67 14.32 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.04 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -134.77 135.13 41.63 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.597 0.237 . . . . 0.0 110.435 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.2 mt -72.79 111.37 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.752 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 pt -106.4 -13.87 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.917 0.389 . . . . 0.0 111.371 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.0 mm-40 -148.91 141.34 24.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -95.1 128.73 42.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -94.6 179.0 5.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -139.57 33.01 2.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.419 0.628 . . . . 0.0 109.493 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.1 t -96.94 164.29 12.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.07 -14.73 33.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.011 0.434 . . . . 0.0 109.972 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -94.8 -37.89 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -134.12 140.76 46.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.04 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -104.24 -28.83 11.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 0.0 111.189 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.543 ' HE2' ' CB ' ' A' ' 63' ' ' GLU . 49.1 m-85 -136.03 162.64 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 111.404 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -115.96 119.91 37.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 173.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 HD11 ' A' ' 20' ' ' ILE . 87.2 t -116.02 130.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -173.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m -94.78 112.32 24.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.11 173.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.23 173.28 11.56 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.648 -175.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.1 mt-10 -55.72 -38.03 69.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.068 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -70.45 -5.37 28.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.243 0.544 . . . . 0.0 110.162 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.72 8.15 83.22 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.551 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.51 139.44 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.567 0.223 . . . . 0.0 110.421 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.19 101.51 12.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.451 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.2 m -114.09 143.6 44.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.075 -176.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -93.94 137.78 32.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 78.6 m-85 -139.81 171.44 14.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 23.2 mttm -103.96 162.88 12.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.052 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.543 ' CB ' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.85 -14.73 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.349 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.27 -23.93 37.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.551 -175.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -113.39 19.47 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.625 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 85.7 mt -114.71 118.86 34.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.852 0.358 . . . . 0.0 111.002 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -115.05 119.78 38.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.365 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 18' ' ' VAL . 42.2 Cg_exo -56.82 136.43 76.38 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.754 2.303 . . . . 0.0 112.082 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' HB1' ' A' ' 17' ' ' ALA . 61.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.039 0.447 . . . . 0.0 111.287 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.435 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 7.2 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -103.22 138.45 19.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' HD22 ' A' ' 16' ' ' LEU . 87.1 Cg_endo -83.57 177.55 6.24 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.957 2.438 . . . . 0.0 112.845 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG23 ' CE1' ' A' ' 41' ' ' HIS . 89.4 t -87.8 139.18 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.5 35.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' HD2' ' A' ' 13' ' ' PRO . 56.1 tp -107.86 127.77 54.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.495 0.188 . . . . 0.0 110.626 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.68 124.03 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 0.0 110.338 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 29.4 m -125.59 161.12 30.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.376 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 49.1 mt-10 -102.92 146.92 27.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.806 175.076 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -115.74 120.51 39.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.9 150.5 19.37 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.684 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -112.0 129.77 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.914 0.387 . . . . 0.0 110.455 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 51' ' ' VAL . 59.4 mt -74.65 123.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.477 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.9 pt -119.96 -6.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.621 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.8 tp10 -150.25 133.72 16.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.414 ' CE1' HG23 ' A' ' 14' ' ' VAL . 19.2 m170 -89.06 107.6 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.88 172.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.35 125.04 33.36 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.192 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -85.83 60.85 6.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.617 0.722 . . . . 0.0 110.299 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -128.73 153.55 47.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.872 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.91 -29.79 35.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.053 0.454 . . . . 0.0 109.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 p -73.18 -45.14 58.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.712 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.25 131.82 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.833 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 4.9 m-20 -101.69 -15.0 17.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.834 0.349 . . . . 0.0 111.259 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' HH ' ' N ' ' A' ' 11' ' ' SER . 38.5 m-85 -136.83 144.49 43.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.044 -173.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.77 107.85 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 169.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 38' ' ' ILE . 46.2 t -104.59 115.88 47.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.741 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 28.5 m -90.64 110.39 21.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.323 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.58 161.58 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.142 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -21.33 64.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 111.488 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -81.5 -9.95 59.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.761 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.19 13.32 33.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.641 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 7.7 m-20 -86.34 120.27 27.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.0 mt -86.56 100.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.861 0.363 . . . . 0.0 110.314 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 m -112.76 138.61 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.204 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.46 134.6 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -141.05 170.9 14.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.275 0.559 . . . . 0.0 111.681 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 54.1 tttp -115.53 170.63 8.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -63.89 -17.31 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.019 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -81.05 -28.67 35.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.965 0.412 . . . . 0.0 110.951 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -93.28 4.84 53.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.544 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 18' ' ' VAL . 87.5 mt -121.49 122.4 39.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 111.765 -174.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.5 m -117.59 109.08 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.501 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 43.5 Cg_endo -66.81 149.62 83.4 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.988 2.458 . . . . 0.0 114.712 -169.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 19' ' ' GLU . 29.8 mt . . . . . 0 C--O 1.234 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.494 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.506 ' HB2' ' OH ' ' A' ' 49' ' ' TYR . 68.3 m . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 22.0 m-85 -118.28 132.33 23.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.428 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.0 Cg_endo -81.4 165.9 18.33 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.89 2.394 . . . . 0.0 112.887 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG13 ' HA ' ' A' ' 39' ' ' ILE . 65.5 t -73.16 138.18 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.294 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 -7.12 55.61 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.67 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.18 119.77 22.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.24 123.64 29.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.5 m -130.77 145.47 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.043 -176.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HG2' ' HG3' ' A' ' 35' ' ' LYS . 39.4 mt-10 -94.34 130.47 40.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.58 . . . . 0.0 110.078 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.58 ' HG3' ' HG2' ' A' ' 19' ' ' GLU . 2.2 mptp? -99.75 116.34 31.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.11 -171.79 14.03 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.107 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -143.18 133.08 24.07 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -73.66 120.59 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.082 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HA ' HG13 ' A' ' 14' ' ' VAL . 25.7 pt -116.86 -7.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.7 tp10 -156.16 149.03 24.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.432 ' NE2' HG23 ' A' ' 14' ' ' VAL . 89.3 m-70 -99.1 111.78 24.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.34 117.2 24.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -86.17 79.03 9.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.169 172.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 35.5 t -129.1 -175.0 3.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.579 -175.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.05 -0.13 11.17 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 m -118.48 -46.75 2.57 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.381 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 44' ' ' SER . 48.7 m-85 -117.67 150.43 39.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.642 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.538 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.6 m-20 -112.45 -30.65 7.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.506 ' OH ' ' HB2' ' A' ' 11' ' ' SER . 54.4 m-85 -137.38 146.58 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.41 . . . . 0.0 111.764 -173.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -99.73 114.04 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.46 126.62 69.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p -98.94 115.04 27.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 168.51 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 111.429 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.41 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.4 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -6.33 44.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.97 15.31 70.27 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.736 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -101.04 123.53 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.35 121.35 40.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.02 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 7.2 m -130.13 147.5 51.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.168 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.07 128.26 36.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 84.4 m-85 -130.33 170.68 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.237 0.541 . . . . 0.0 110.531 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.599 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 55.7 tttp -111.71 164.83 12.6 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.74 -30.93 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.92 -22.93 60.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.888 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 6.7 mp0 -98.43 25.39 6.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.291 -173.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.5 mt -135.42 156.24 49.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 111.397 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 90.9 m -142.89 105.05 5.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.428 172.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HA ' HG12 ' A' ' 18' ' ' VAL . 17.0 Cg_exo -66.89 149.75 83.12 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.222 2.615 . . . . 0.0 113.545 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' A' ' 19' ' ' GLU . 64.7 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.099 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.77 147.03 22.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.317 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.78 156.12 8.28 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.162 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -98.53 113.04 63.81 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 121.193 0.521 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -90.53 25.5 0.54 Allowed 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.059 2.506 . . . . 0.0 112.45 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tt -81.83 111.72 28.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.046 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.1 -56.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.805 2.337 . . . . 0.0 111.63 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -163.13 -65.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.497 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -137.55 -73.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.69 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -80.3 112.7 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.4 . . . . 0.0 111.942 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -85.49 -39.76 17.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.424 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 40.7 m-85 -97.21 133.94 23.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' HD22 ' A' ' 16' ' ' LEU . 93.7 Cg_endo -84.79 173.87 7.95 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.174 2.583 . . . . 0.0 113.15 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -78.26 135.71 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.339 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.53 -0.32 58.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.258 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.5 tp -80.27 129.79 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 0.0 110.589 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.26 127.98 33.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.024 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.2 m -134.32 166.59 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.215 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.6 pt-20 -119.26 148.43 43.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 173.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.22 106.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' OD1' ' HB2' ' A' ' 23' ' ' ASN . 6.7 p30 -73.95 161.56 29.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.937 0.398 . . . . 0.0 110.505 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -78.2 29.91 0.18 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' HB2' ' OD1' ' A' ' 21' ' ' ASN . 58.0 m-80 -101.73 -3.34 28.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.096 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -94.67 19.84 9.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.26 171.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -46.57 -53.52 11.25 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.513 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -97.59 85.38 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.263 0.554 . . . . 0.0 109.755 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.39 -37.65 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 31' ' ' HIS . 80.8 m -136.74 77.85 44.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.41 120.11 7.51 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.762 2.308 . . . . 0.0 112.47 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 63.1 29.61 16.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.974 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 28' ' ' CYS . 38.8 t-80 -120.24 14.35 12.12 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 175.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 24' ' ' ALA . 25.8 m -115.4 151.14 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.766 -176.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.89 12.89 38.8 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -122.62 -171.7 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 9.8 mtmp? -120.23 159.22 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.31 -178.95 29.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.115 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -129.54 125.39 36.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 49' ' ' TYR . 67.3 mt -73.92 112.56 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.4 pt -110.35 -24.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 49.0 mm-40 -137.36 159.56 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.489 ' HD2' ' HD1' ' A' ' 49' ' ' TYR . 20.8 m170 -109.38 135.07 51.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.841 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.57 151.15 38.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.904 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -112.28 101.82 10.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 29.7 t -164.85 137.43 4.57 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.76 -175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.21 -12.67 60.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.83 -37.02 13.19 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.021 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HB3' ' A' ' 44' ' ' SER . 63.7 m-85 -146.02 129.46 16.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.56 -173.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.751 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 16.9 m-20 -102.26 -24.51 13.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.078 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 63' ' ' GLU . 29.2 m-85 -134.09 158.59 43.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 111.597 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -110.55 113.89 26.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 171.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HB ' ' HD2' ' A' ' 61' ' ' PHE . 67.4 t -109.81 125.59 66.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -172.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -87.28 109.91 19.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.539 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.59 150.35 47.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.94 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.62 -21.46 62.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.1 p -77.56 -9.05 58.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 111.358 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.85 14.62 36.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.613 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -104.51 117.94 35.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -83.92 118.22 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.923 0.392 . . . . 0.0 110.259 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.3 m -124.06 162.09 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.962 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.74 134.86 47.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 74.7 m-85 -137.98 163.68 30.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 111.322 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 6.4 ttpm? -114.22 161.5 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 45.5 mt-10 -53.39 -30.65 41.06 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -75.15 -21.48 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.536 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mp0 -95.11 -2.31 50.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 18' ' ' VAL . 91.2 mt -122.27 150.03 42.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 112.118 -174.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -129.89 121.52 19.95 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.541 175.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 26.5 Cg_endo -62.71 143.01 91.46 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.53 2.153 . . . . 0.0 113.139 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD12 ' HB1' ' A' ' 17' ' ' ALA . 95.6 mt -95.26 152.68 18.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.135 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -126.29 146.59 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.401 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.95 -39.53 38.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.327 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 143.62 -104.9 0.36 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.346 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp 63.6 23.55 13.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 110.787 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.13 -9.73 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.044 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -120.55 1.68 10.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.298 0.571 . . . . 0.0 110.426 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.2 p -93.09 145.99 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.866 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -110.63 95.42 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -112.62 97.98 6.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.806 0.336 . . . . 0.0 110.656 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -149.02 -41.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.908 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -131.02 85.88 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 111.277 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -131.92 127.59 36.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.28 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -115.35 85.05 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.517 0.675 . . . . 0.0 110.637 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.4 m170 61.2 -163.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.178 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.642 -179.453 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.225 0.536 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.27 132.77 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.498 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.52 -102.96 0.87 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.305 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.14 114.29 13.36 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.35 -84.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.32 2.68 . . . . 0.0 113.947 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -168.42 92.76 0.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.865 0.364 . . . . 0.0 110.613 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -82.67 -59.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.842 2.362 . . . . 0.0 109.849 165.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.4 tttm 67.29 9.71 7.18 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.079 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 61.65 -122.88 0.8 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.725 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -138.81 106.48 5.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.969 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -95.86 -24.27 16.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 63' ' ' GLU . 50.4 m-85 -99.09 128.16 32.85 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD2' HD22 ' A' ' 16' ' ' LEU . 96.5 Cg_endo -78.18 175.51 11.04 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.913 2.409 . . . . 0.0 112.83 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 139.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.708 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 37' ' ' LYS . . . 94.42 -0.03 65.46 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.824 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -85.73 128.87 34.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.781 0.324 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 129.49 35.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.792 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.8 m -136.08 155.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.984 0.421 . . . . 0.0 110.516 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.507 ' HG3' HD21 ' A' ' 69' ' ' LEU . 33.4 mt-10 -112.73 122.95 49.18 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.661 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.0 mp -70.86 151.39 9.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.706 -175.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.912 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 4.8 p30 -128.89 68.4 1.4 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 167.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.564 ' C ' ' H ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -60.02 90.42 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.939 -173.135 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 72.05 -30.45 0.21 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 124.287 0.992 . . . . 0.0 109.76 -170.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.912 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . . . 65.31 10.76 6.75 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.212 1.005 . . . . 0.0 112.003 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 25' ' ' ARG . 3.0 tpm_? 46.24 -93.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.018 0.927 . . . . 0.0 111.648 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -165.31 96.58 0.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.19 -6.25 44.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.546 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 p -179.13 103.28 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 1.019 ' HB2' HG23 ' A' ' 32' ' ' VAL . 40.2 Cg_endo -66.73 132.58 29.07 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.058 1.839 . . . . 0.0 110.075 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -67.01 93.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.898 -174.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.9 t60 74.61 -32.86 0.23 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.768 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.019 HG23 ' HB2' ' A' ' 29' ' ' PRO . 2.6 m -67.53 159.35 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 171.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.661 ' HA2' ' O ' ' A' ' 20' ' ' ILE . . . 105.86 41.0 1.9 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.012 -173.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.7 mtm180 -80.98 168.48 18.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.018 -0.591 . . . . 0.0 110.093 -177.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -91.27 120.48 32.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.09 165.25 24.05 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.276 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 15.9 tppt? -114.04 122.01 45.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.257 -0.472 . . . . 0.0 110.178 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 51' ' ' VAL . 69.1 mt -70.65 115.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' HB2' ' A' ' 52' ' ' SER . 33.3 pt -118.0 -14.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -170.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 38.4 tt0 -156.28 142.09 17.93 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.669 -175.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -96.29 138.83 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.024 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.22 164.15 14.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -122.27 25.61 8.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.322 0.582 . . . . 0.0 109.777 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -77.4 165.25 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.095 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.03 -18.66 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.124 0.488 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 p -86.74 -44.57 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.174 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.443 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 45.2 m-85 -143.28 138.0 29.26 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 1.8 m-20 -102.08 -12.63 17.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.173 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.703 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 64.7 m-85 -130.98 152.66 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.316 . . . . 0.0 111.365 -174.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -117.12 109.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 20' ' ' ILE . 58.9 t -107.69 127.58 63.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -174.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.459 ' HB2' HD13 ' A' ' 39' ' ' ILE . 23.2 t -90.1 109.96 20.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.52 169.11 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.512 . . . . 0.0 111.504 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.53 -11.75 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.514 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -76.8 -22.67 53.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.03 -8.09 55.44 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.854 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.54 153.3 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.62 118.9 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.655 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.4 m -116.46 139.86 49.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -91.47 135.22 34.0 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 80.8 m-85 -140.08 167.8 21.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.146 0.498 . . . . 0.0 111.126 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 38.6 mttm -104.99 154.32 20.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.703 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.9 pt-20 -62.32 -17.98 60.18 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.646 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -55.39 -34.53 64.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -113.89 28.25 8.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.478 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.38 118.67 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.7 m -99.4 119.39 60.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 18' ' ' VAL . 60.4 Cg_endo -72.45 139.2 31.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.409 2.072 . . . . 0.0 112.624 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 19' ' ' GLU . 96.6 mt -98.45 163.74 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.988 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -120.77 124.23 44.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.226 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.98 12.18 3.35 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.31 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.92 59.17 4.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.555 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.96 79.5 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.253 0.549 . . . . 0.0 110.096 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.76 -1.61 22.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.093 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -105.08 0.38 27.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.279 0.561 . . . . 0.0 110.182 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 p -146.33 116.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.98 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt -104.5 167.17 9.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -86.67 22.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.27 0.557 . . . . 0.0 111.136 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -124.85 100.55 6.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.033 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' HIS . 58.2 m80 -102.91 -78.88 0.54 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.467 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -92.47 -67.99 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.37 -70.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -109.92 -50.22 3.0 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 19.3 m170 . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.259 167.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 178.09 -70.94 0.01 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.902 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.38 167.26 14.25 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.052 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -118.51 84.56 24.2 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -99.76 5.63 0.86 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.376 2.718 . . . . 0.0 113.881 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.18 156.79 73.66 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.822 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.04 -33.89 96.59 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.582 2.188 . . . . 0.0 111.259 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -135.32 133.48 38.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.74 -55.74 31.18 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.425 0.453 . . . . 0.0 111.253 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -91.33 102.57 15.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -88.45 -41.38 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.782 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 85.4 m-85 -70.11 117.03 50.36 Favored Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HD2' HD22 ' A' ' 16' ' ' LEU . 82.0 Cg_endo -80.31 156.11 22.32 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.493 2.129 . . . . 0.0 112.898 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.0 130.82 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.749 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.12 2.19 51.5 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.748 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.5 tp -88.94 136.16 33.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.21 131.52 34.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.136 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 68' ' ' PRO . 34.9 m -138.9 170.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 35' ' ' LYS . 9.7 pt-20 -141.5 158.6 43.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.988 0.423 . . . . 0.0 110.156 170.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 3.8 mp -88.89 118.66 34.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.391 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -76.51 -177.07 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.306 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -84.75 26.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.863 0.839 . . . . 0.0 111.423 -171.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -90.35 -17.68 26.87 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.191 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.501 ' HB3' HG22 ' A' ' 32' ' ' VAL . . . -73.54 6.49 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.051 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -56.62 -37.14 70.29 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 0.0 110.346 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -99.3 109.01 21.68 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.49 -71.03 0.5 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.514 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.3 m -134.72 76.26 60.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.546 0.212 . . . . 0.0 110.665 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.28 29.57 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.567 2.178 . . . . 0.0 112.275 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -136.13 22.77 3.26 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.004 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -150.89 18.26 0.78 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.749 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 24' ' ' ALA . 33.3 t -85.82 145.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.6 49.07 62.11 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.815 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -132.06 140.01 48.73 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.628 ' HG2' ' HB3' ' A' ' 19' ' ' GLU . 53.7 mttp -102.74 151.66 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 -174.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.64 178.28 36.71 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.757 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -129.67 129.66 44.55 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 51' ' ' VAL . 67.3 mt -66.42 128.99 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.291 -178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' SER . 26.1 pt -115.92 -13.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 161.24 24.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.199 0.523 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -98.08 125.46 43.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.88 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' TYR . 52.7 mt -83.24 143.93 30.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.299 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -96.13 18.03 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.783 0.801 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 21.7 m -98.71 154.68 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.944 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.21 -25.06 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -40.76 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . 94.3 m-85 -137.21 125.9 23.86 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -9.51 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.638 ' CE1' ' HB2' ' A' ' 12' ' ' TYR . 79.5 m-85 -136.78 144.02 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.984 -177.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.96 111.08 23.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.352 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 38' ' ' ILE . 53.1 t -103.57 127.04 57.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.608 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 9.6 t -95.63 107.37 19.56 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.0 m-20 -59.28 158.2 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.849 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.92 -24.95 56.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.641 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -84.2 -2.56 57.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.976 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.27 15.65 43.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.298 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 2.7 m-20 -83.66 167.38 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.621 0.248 . . . . 0.0 110.528 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.0 mt -132.32 94.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -116.83 141.52 48.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CD1' HD11 ' A' ' 42' ' ' LEU . 24.9 m-85 -96.23 134.65 39.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.157 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.434 ' CZ ' HG12 ' A' ' 20' ' ' ILE . 50.8 m-85 -141.41 173.91 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.001 0.429 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HG2' ' OE1' ' A' ' 63' ' ' GLU . 54.0 tttp -113.22 159.52 19.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -51.23 -33.25 27.1 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -177.23 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -74.11 -27.2 60.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.78 2.28 55.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.87 0.366 . . . . 0.0 111.009 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.07 128.8 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.526 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 m -110.59 117.0 51.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.064 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.535 ' HA ' HG12 ' A' ' 18' ' ' VAL . 37.3 Cg_endo -66.85 137.0 43.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.907 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -95.45 105.86 17.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.497 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.8 mtpm? -88.17 87.22 7.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.83 95.19 0.73 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.782 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.07 2.54 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.15 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.16 3.44 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.182 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.24 31.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 111.218 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -86.4 -35.66 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -120.7 133.14 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.414 -173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.66 132.68 53.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -29.88 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.571 -172.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -152.27 -168.52 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.508 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 73.56 117.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 124.041 0.838 . . . . 0.0 111.147 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -75.75 95.31 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.56 0.695 . . . . 0.0 110.461 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -104.02 25.7 9.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.229 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -70.59 -17.83 62.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.124 171.869 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.73 97.7 0.05 OUTLIER 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.776 0.672 . . . . 0.0 110.904 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.95 -15.65 60.81 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.681 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.72 91.86 43.15 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 111.337 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -92.34 84.76 0.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.351 2.7 . . . . 0.0 110.716 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.3 mt -82.39 112.53 37.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.087 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.13 3.92 4.72 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.816 2.344 . . . . 0.0 112.548 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -118.84 9.79 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -143.66 -168.24 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.439 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 2.9 m-90 -105.07 108.53 20.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.154 0.502 . . . . 0.0 111.45 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 p -95.68 -29.75 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.37 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.8 m-85 -97.12 132.11 26.3 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.202 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.8 Cg_exo -75.47 164.36 32.64 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.984 2.456 . . . . 0.0 113.189 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 41' ' ' HIS . 69.4 t -83.61 143.09 12.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.857 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.8 3.45 60.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.942 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -107.05 141.73 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.49 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.0 m -135.38 148.7 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.226 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -109.62 144.3 38.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp -85.01 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.02 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.43 170.93 15.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.41 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.69 25.19 0.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.179 0.514 . . . . 0.0 111.807 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -94.21 -29.22 15.21 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.147 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.8 25.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.582 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -71.67 -6.97 45.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.578 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.2 -33.54 71.84 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.04 -6.67 42.35 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.844 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.6 m -130.65 70.1 82.4 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.55 123.6 10.34 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.555 2.17 . . . . 0.0 112.506 -171.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.6 m80 57.69 31.04 19.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.288 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -133.48 -88.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.363 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.88 HG12 ' H ' ' A' ' 33' ' ' GLY . 3.4 t 59.0 -169.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.88 ' H ' HG12 ' A' ' 32' ' ' VAL . . . 79.71 13.15 82.77 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.152 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -77.15 137.65 39.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 7.7 ttpm? -126.22 129.9 49.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -136.24 -166.42 10.9 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.22 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.02 134.6 30.07 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.88 119.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 52' ' ' SER . 37.6 pt -114.42 -12.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.57 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.5 tp10 -154.94 149.92 26.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.275 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 14' ' ' VAL . 23.4 m170 -103.87 108.46 19.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.788 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.37 124.39 28.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -84.99 80.71 9.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.607 0.718 . . . . 0.0 110.129 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -146.98 177.15 9.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.437 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.5 -9.25 12.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -95.54 -45.59 7.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.252 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.3 122.07 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.495 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -109.62 -11.24 14.79 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -171.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.27 137.87 52.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.142 0.496 . . . . 0.0 111.954 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.02 107.47 18.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.8 t -101.32 122.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.26 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 39' ' ' ILE . 27.6 t -89.56 103.65 16.28 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.41 161.52 22.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 15.1 pt-20 -73.97 -7.94 54.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.982 0.42 . . . . 0.0 110.545 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.3 p -75.63 -20.77 58.28 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.225 0.535 . . . . 0.0 109.913 169.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.36 -3.05 40.02 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.287 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -88.06 146.36 25.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -104.63 103.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.1 m -114.97 144.5 43.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.03 0.443 . . . . 0.0 110.586 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.62 132.0 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.94 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.14 178.01 7.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.322 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 57.2 tttp -123.26 161.98 23.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.124 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 29.4 tt0 -48.86 -35.48 14.77 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -65.51 -44.93 85.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.2 pm0 -91.69 1.9 56.84 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -174.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.72 134.14 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.921 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.7 m -121.77 116.85 30.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.92 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.531 ' HA ' HG12 ' A' ' 18' ' ' VAL . 59.1 Cg_endo -71.78 141.77 38.06 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.81 2.34 . . . . 0.0 112.728 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' A' ' 73' ' ' LEU . 97.4 mt -86.7 87.68 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.683 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -98.83 -18.43 17.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.626 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.79 102.61 2.14 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.927 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -50.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.289 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 69' ' ' LEU . 6.8 mp -70.77 -16.04 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 0.0 110.948 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.55 29.37 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.145 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -148.13 83.89 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.37 142.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.645 -175.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.9 101.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.818 ' HG3' ' HB2' ' A' ' 81' ' ' HIS . 4.9 tp10 -87.5 111.76 21.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.834 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 82' ' ' HIS . 9.0 m170 -101.52 -64.73 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -79.16 4.21 15.44 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.818 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 59.9 m-70 -107.63 -3.83 18.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 10.7 t-80 -85.81 106.53 17.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.914 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -118.75 83.76 2.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.298 0.57 . . . . 0.0 109.556 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.278 -0.867 . . . . 0.0 109.094 -174.856 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.448 0.166 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.63 141.12 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.32 -55.37 0.81 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.506 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -148.98 119.21 4.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.334 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.22 18.77 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.118 2.545 . . . . 0.0 112.474 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.2 mt 70.07 102.49 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.389 0 O-C-N 123.902 0.752 . . . . 0.0 111.588 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.94 -18.95 16.39 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.975 2.45 . . . . 0.0 111.497 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -74.7 115.62 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.77 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -70.18 138.21 51.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.509 ' HE3' ' H ' ' A' ' 10' ' ' TRP . 6.1 m-90 -61.13 158.77 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.16 -26.83 59.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.287 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -116.81 129.78 25.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HD2' HD22 ' A' ' 16' ' ' LEU . 72.9 Cg_endo -76.4 173.61 14.2 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.158 2.572 . . . . 0.0 113.966 -173.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -87.71 138.76 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.841 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.14 -5.47 68.35 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.963 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 68' ' ' PRO . 62.5 tp -74.6 130.66 39.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.652 0.263 . . . . 0.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 119.68 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.057 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.3 m -126.41 146.21 32.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.009 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' OE2' ' HB ' ' A' ' 67' ' ' THR . 0.7 OUTLIER -102.13 145.97 28.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.469 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.9 mm -71.75 101.25 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 23' ' ' ASN . 26.3 p30 -70.33 161.3 30.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.634 0.731 . . . . 0.0 110.999 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' HB3' ' NE ' ' A' ' 25' ' ' ARG . 40.9 m-80 -76.64 24.63 0.15 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.535 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 21' ' ' ASN . 44.8 t30 -96.36 -28.87 14.27 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.535 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.91 -5.75 47.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.309 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' NE ' ' HB3' ' A' ' 22' ' ' ASN . 85.5 mtm180 -61.77 -23.07 65.95 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -87.64 -16.8 33.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.18 -4.5 23.87 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.174 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -164.8 85.7 1.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.47 127.54 23.14 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.146 2.564 . . . . 0.0 113.756 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 m80 54.05 40.47 31.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.333 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -122.97 20.91 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.79 177.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.0 17.52 56.01 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.353 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -104.82 138.59 40.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -97.72 123.46 41.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.87 175.6 19.95 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.597 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -128.18 125.6 39.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.82 122.87 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.889 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 52' ' ' SER . 35.7 pt -118.13 -5.68 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.8 tp10 -160.73 157.88 27.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -113.14 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.587 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.22 127.53 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.731 0.301 . . . . 0.0 110.952 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -82.99 81.67 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.015 0.912 . . . . 0.0 109.545 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -154.9 178.66 9.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.08 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.74 -0.13 10.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -96.63 -38.51 9.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.9 137.19 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -95.51 -40.14 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.05 0.453 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 55.7 m-85 -131.07 154.59 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.062 0.458 . . . . 0.0 111.947 -170.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -112.64 115.42 28.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -108.04 136.01 44.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.506 ' HB2' HD13 ' A' ' 39' ' ' ILE . 15.1 t -99.3 104.24 16.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.4 m-20 -70.51 165.94 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.769 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.11 -22.55 66.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.391 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -83.03 -5.65 59.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.86 14.17 55.44 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 1.5 m-20 -81.16 142.45 33.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.683 0.278 . . . . 0.0 110.589 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.67 88.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 167.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -105.66 141.71 36.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.378 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.77 127.67 47.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -134.02 175.77 9.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 62' ' ' LYS . 12.8 mtpp -103.85 173.67 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.624 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 10.2 pt-20 -49.36 -42.41 41.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.698 -1.137 . . . . 0.0 113.623 -177.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' ND1' ' HG3' ' A' ' 63' ' ' GLU . 66.8 m80 -94.76 1.71 55.46 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -172.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -93.34 -0.62 56.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.8 mt -125.89 126.93 45.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.611 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.489 ' HB ' ' OE2' ' A' ' 19' ' ' GLU . 93.9 m -109.89 116.88 53.22 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.25 175.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -65.12 129.67 23.59 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 0.0 112.595 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -74.63 92.42 2.43 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.57 -77.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.114 0.483 . . . . 0.0 110.452 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.57 16.61 51.83 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.544 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.53 -76.75 2.06 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt 67.28 12.0 8.69 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.247 0.619 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.39 79.56 6.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 109.974 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -166.67 -40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.184 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.63 122.52 63.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.353 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -96.78 -74.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.54 84.45 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.72 0.771 . . . . 0.0 110.97 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -120.95 112.84 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.21 -54.28 46.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 -170.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 60.42 87.31 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.12 0.486 . . . . 0.0 111.313 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -132.93 78.88 1.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.267 0.556 . . . . 0.0 110.375 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -136.33 -71.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.239 0.539 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.144 175.092 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.7 146.86 39.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.98 -133.24 7.23 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.08 100.63 37.47 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-O 121.46 0.648 . . . . 0.0 109.989 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -90.15 162.26 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.075 2.517 . . . . 0.0 112.843 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 93.4 mt -114.43 105.6 53.59 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.944 176.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 6' ' ' LEU . 6.5 Cg_endo -87.0 92.55 0.53 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.994 2.463 . . . . 0.0 112.445 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' LYS . 51.5 mmtt -91.07 82.12 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.474 0.654 . . . . 0.0 110.827 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -138.59 -138.36 0.14 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -76.64 85.17 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 171.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -79.99 -12.13 59.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.804 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 82.9 m-85 -108.73 101.27 43.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.834 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.57 159.91 50.39 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.105 2.537 . . . . 0.0 112.829 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.3 133.87 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.95 -9.88 51.48 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.1 132.73 39.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 110.316 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.69 124.5 30.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.5 m -136.69 154.26 31.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.376 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.97 156.75 20.06 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.03 126.47 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.213 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -81.58 171.51 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.507 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -80.45 24.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.294 0.569 . . . . 0.0 111.254 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -115.05 -10.66 12.2 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.676 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.42 9.05 38.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.333 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HB2' HG21 ' A' ' 32' ' ' VAL . 3.2 tmt_? -69.95 -32.48 70.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.131 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -74.88 -27.84 60.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.48 -39.0 7.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.093 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -146.93 90.64 5.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.51 147.36 70.63 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.392 2.062 . . . . 0.0 112.112 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.3 t60 66.49 26.76 9.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.852 0.834 . . . . 0.0 110.375 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -129.55 9.9 5.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.465 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 25' ' ' ARG . 53.2 t -82.53 140.45 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.682 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.03 1.2 76.54 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.141 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -76.73 167.52 21.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.602 0.239 . . . . 0.0 110.769 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 65.1 mmtt -118.81 140.54 49.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.95 -174.65 26.02 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.417 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -138.53 133.62 32.84 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' VAL . 69.6 mt -72.62 121.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.187 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 pt -110.43 -21.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.689 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.0 mm-40 -146.56 148.44 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 111.489 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -101.74 126.09 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.42 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 48' ' ' ASP . 91.0 mt -93.95 -170.79 2.4 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.81 42.39 2.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.558 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 40.7 t -114.55 160.25 19.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.24 -172.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.57 -9.67 20.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.316 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 p -94.27 -51.37 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.205 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 44' ' ' SER . 95.0 m-85 -143.94 121.21 11.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 42' ' ' LEU . 21.8 t70 -117.35 3.02 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.145 0.498 . . . . 0.0 112.158 -166.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.557 ' HE1' ' HB3' ' A' ' 63' ' ' GLU . 93.3 m-85 -130.27 143.85 51.02 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.153 -0.342 . . . . 0.0 110.307 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -108.66 114.86 29.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.483 HG22 HG12 ' A' ' 38' ' ' ILE . 66.7 t -115.4 127.91 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -91.53 111.84 23.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.724 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.7 156.38 39.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 49.6 mt-10 -66.59 -10.16 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 p -78.86 -5.81 54.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.159 0.504 . . . . 0.0 110.194 172.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.97 61.95 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.543 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.84 137.05 37.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -98.15 104.95 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.855 0.36 . . . . 0.0 110.158 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -114.07 148.72 36.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.879 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' HD11 ' A' ' 42' ' ' LEU . 47.1 m-85 -97.49 129.98 44.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.44 171.24 12.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.171 0.51 . . . . 0.0 110.978 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -104.16 162.6 13.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.216 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 49' ' ' TYR . 10.5 pt-20 -59.66 -33.33 71.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -90.36 -12.37 37.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.653 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.89 10.82 14.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.533 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.17 152.13 51.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.581 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.1 m -130.98 120.55 18.42 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 18' ' ' VAL . 51.4 Cg_endo -69.0 137.86 38.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.106 2.537 . . . . 0.0 112.805 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.02 85.45 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.089 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 69.94 -30.76 0.2 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.73 -50.53 19.64 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 114.184 0.434 . . . . 0.0 114.184 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.49 18.69 55.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.143 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.45 -44.26 3.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.601 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.3 27.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.085 0.469 . . . . 0.0 111.126 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -80.01 -34.58 38.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.58 129.68 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.091 0.472 . . . . 0.0 111.296 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.6 mt -129.54 94.06 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -144.42 -61.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -79.7 45.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -69.48 -24.35 63.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -146.51 162.2 38.83 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -84.42 120.78 26.68 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.52 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -131.38 111.37 11.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.659 178.191 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mmm . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.497 0.189 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.64 94.12 4.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.79 0.328 . . . . 0.0 110.982 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.05 -149.78 6.58 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.875 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.68 100.44 53.42 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.649 0.737 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 1.47 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.704 2.269 . . . . 0.0 111.649 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp 59.63 88.35 0.12 Allowed Pre-proline 0 N--CA 1.462 0.148 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.517 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.36 95.21 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.398 2.065 . . . . 0.0 110.535 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 16.5 ptpt -61.27 131.97 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.412 0.625 . . . . 0.0 110.99 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -86.13 6.95 26.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.376 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -122.73 111.55 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.486 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t -81.21 -29.12 34.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.345 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.89 124.96 38.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.64 0.257 . . . . 0.0 110.425 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.2 Cg_endo -79.6 172.62 14.11 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.081 2.521 . . . . 0.0 113.293 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 41' ' ' HIS . 75.1 t -78.46 141.05 15.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.601 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.6 5.37 61.6 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.739 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 ' HD2' ' A' ' 13' ' ' PRO . 43.3 tp -94.55 131.32 40.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -88.46 126.11 35.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.2 m -132.63 154.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.478 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' A' ' 69' ' ' LEU . 17.0 pt-20 -105.64 142.45 35.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.057 0.456 . . . . 0.0 109.883 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.2 mp -92.25 117.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -176.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 23' ' ' ASN . 42.9 m-80 -72.72 156.68 38.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.665 ' HA ' ' HB ' ' A' ' 32' ' ' VAL . 3.7 p-10 -77.52 23.71 0.22 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.438 0.637 . . . . 0.0 111.569 -177.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.6 t30 -95.64 -15.58 22.63 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.225 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.38 31.19 0.66 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.768 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -59.88 -26.61 66.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.407 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -90.49 -11.86 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.156 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.49 -58.09 2.79 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HG21 ' A' ' 59' ' ' THR . 20.9 m -166.84 103.79 0.65 Allowed Pre-proline 0 CA--C 1.516 -0.338 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.21 167.14 25.87 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.114 1.876 . . . . 0.0 111.03 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.8 m80 64.5 24.93 13.2 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -143.96 5.34 1.32 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.665 ' HB ' ' HA ' ' A' ' 22' ' ' ASN . 24.0 m -98.61 146.4 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.69 31.59 39.96 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -125.54 170.86 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.51 135.06 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 53' ' ' ASP . . . -143.53 -179.53 20.2 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.699 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -125.57 132.6 52.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.658 0.266 . . . . 0.0 110.452 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.9 mt -70.2 115.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.858 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 pt -106.26 -25.17 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.412 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 10.3 mm-40 -136.34 151.34 49.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.286 -176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' HG23 ' A' ' 14' ' ' VAL . 15.9 m170 -107.12 126.41 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -101.69 34.32 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.875 0.845 . . . . 0.0 109.046 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -81.49 175.85 10.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.778 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.8 -0.3 15.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 m -107.09 -36.77 6.49 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.625 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -138.31 141.33 39.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.725 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.34 -41.02 13.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.794 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.632 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 23.2 m-85 -134.67 163.1 30.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.376 0.608 . . . . 0.0 112.291 -168.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -114.57 116.38 28.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.217 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.11 124.27 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.336 -173.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 t -100.69 111.18 23.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.563 ' HA ' ' HA2' ' A' ' 36' ' ' GLY . 0.8 OUTLIER -78.73 173.11 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.185 0.517 . . . . 0.0 112.169 -173.678 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.22 -29.12 65.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.557 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 -6.01 59.34 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.83 -7.92 57.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.995 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.45 137.56 32.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.359 0.6 . . . . 0.0 111.243 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.11 132.85 52.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.859 -174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 28' ' ' CYS . 43.3 m -136.21 144.66 45.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.272 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CD1' HD11 ' A' ' 42' ' ' LEU . 33.7 m-85 -87.19 136.93 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -140.02 174.7 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 111.288 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -110.84 165.61 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.443 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.632 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -76.02 5.77 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.112 0.482 . . . . 0.0 111.506 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -95.64 -17.96 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.187 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -110.47 -7.39 14.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.934 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 18' ' ' VAL . 91.7 mt -105.9 130.03 53.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 111.905 -173.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 m -110.05 119.49 47.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.721 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 18' ' ' VAL . 20.0 Cg_endo -61.0 134.91 55.75 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.537 2.158 . . . . 0.0 112.026 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 19' ' ' GLU . 87.0 mt -79.72 169.36 18.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 110.753 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -80.22 140.2 36.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.489 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.62 77.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.733 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.63 -71.15 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.592 -0.814 . . . . 0.0 113.352 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.61 -6.62 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.87 100.75 11.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.448 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.6 t80 73.92 91.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.545 1.153 . . . . 0.0 111.27 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.22 102.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.342 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -125.31 106.31 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.421 . . . . 0.0 110.941 -172.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HB2' ' H ' ' A' ' 79' ' ' HIS . 0.4 OUTLIER -155.64 -160.05 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 169.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 41.2 t-80 -70.57 100.29 1.79 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 111.795 -170.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.467 ' HB2' ' C ' ' A' ' 84' ' ' HIS . 94.9 m-70 -126.65 143.37 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.909 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -105.62 92.16 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.361 0.6 . . . . 0.0 109.94 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -173.79 -67.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.366 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -155.26 31.83 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.328 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 64.0 m170 . . . . . 0 C--O 1.239 0.527 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.472 -157.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' A' ' 5' ' ' PRO . 26.3 ttt . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.93 -71.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.313 . . . . 0.0 110.526 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.08 -92.5 0.64 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -103.92 119.51 54.2 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 35.5 Cg_exo -57.08 131.7 46.97 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.277 2.651 . . . . 0.0 113.386 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.94 157.33 66.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.345 175.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.2 100.41 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.643 2.229 . . . . 0.0 112.258 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -90.43 135.7 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.523 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -117.22 -173.05 2.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -101.45 139.92 36.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.87 0.367 . . . . 0.0 110.626 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -82.45 -38.34 24.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.291 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 31.2 m-85 -100.18 130.71 25.45 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.645 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 4.0 Cg_exo -75.32 161.62 37.54 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.977 2.451 . . . . 0.0 112.459 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.5 139.58 19.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.794 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.03 -12.79 60.62 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.985 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.46 121.35 21.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.84 0.352 . . . . 0.0 110.604 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.31 123.59 27.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.084 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.0 m -134.16 153.78 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.961 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.48 139.4 37.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.096 0.474 . . . . 0.0 110.291 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.566 HD11 HG11 ' A' ' 51' ' ' VAL . 2.1 mp -82.41 135.22 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.916 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -121.09 27.94 8.15 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.619 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 2.9 t-20 -54.24 89.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 124.809 1.318 . . . . 0.0 111.056 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 t30 75.69 7.49 3.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.831 -1.532 . . . . 0.0 110.204 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' A' ' 28' ' ' CYS . . . -75.86 -60.83 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.246 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -80.41 13.43 2.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.501 0.667 . . . . 0.0 110.682 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -167.72 82.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.427 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.78 -66.42 0.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.473 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 24' ' ' ALA . 74.5 m -137.57 98.17 10.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.86 31.31 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.689 2.259 . . . . 0.0 112.978 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -178.19 94.55 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.328 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -171.65 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.524 0.678 . . . . 0.0 109.263 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 24' ' ' ALA . 17.0 m -106.14 -154.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.384 172.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . 120.5 63.4 0.25 Allowed Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.409 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 122.35 45.99 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.369 -0.415 . . . . 0.0 110.201 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.83 119.29 25.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 170.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.35 -175.95 14.13 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.026 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -129.1 131.81 47.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.646 0.26 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 49' ' ' TYR . 74.3 mt -70.81 115.06 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.763 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.98 -16.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.744 0.307 . . . . 0.0 111.387 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 mm-40 -143.0 134.46 26.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -89.36 95.95 10.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.089 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.53 128.39 35.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -102.05 85.16 2.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.896 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -151.58 -176.4 5.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.758 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.81 -9.29 14.82 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.78 -42.53 9.08 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.411 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -141.3 139.44 33.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.604 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 m-20 -108.43 -14.68 14.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 71.8 m-85 -140.62 143.67 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 111.535 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -109.83 116.42 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG11 HD11 ' A' ' 20' ' ' ILE . 48.4 t -111.1 132.38 59.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.259 -172.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.3 m -90.36 106.25 18.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.73 162.09 29.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 111.446 -173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.73 -14.87 16.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.55 173.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -70.26 -30.99 68.17 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.17 -12.68 16.75 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.046 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -95.3 171.54 8.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.798 0.333 . . . . 0.0 110.5 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 64.0 mt -117.56 117.57 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.58 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m -117.78 147.58 42.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.38 134.26 37.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 77.0 m-85 -142.8 176.34 9.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.239 0.542 . . . . 0.0 110.815 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 48' ' ' ASP . 31.0 mtpt -116.61 163.31 16.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.882 172.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.66 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 10.4 pt-20 -64.58 -7.8 11.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.997 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -62.58 -29.07 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.534 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.619 ' OE1' ' HA ' ' A' ' 22' ' ' ASN . 5.7 mt-10 -134.02 32.37 3.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 111.553 -173.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -117.08 121.6 41.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.187 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.6 m -114.04 119.68 40.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 18' ' ' VAL . 21.4 Cg_exo -65.07 144.2 81.16 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.437 2.091 . . . . 0.0 111.573 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -70.08 170.01 12.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.898 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.669 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -68.59 -35.6 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.354 -174.356 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.5 -70.25 2.22 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.341 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.1 148.96 19.08 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 tp -137.19 31.11 2.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.563 0.697 . . . . 0.0 109.76 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 2.35 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.293 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.84 -36.69 42.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.899 0.381 . . . . 0.0 110.094 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 77' ' ' LEU . 7.2 p -97.79 -54.54 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.527 -177.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.44 ' N ' HG13 ' A' ' 76' ' ' VAL . 93.7 mt 41.14 -108.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.234 0.613 . . . . 0.0 111.549 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HG3' ' HB2' ' A' ' 81' ' ' HIS . 25.9 tt0 -162.83 97.49 0.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.46 -69.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.694 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -106.52 -47.56 3.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.536 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 9.6 t-80 62.52 33.03 16.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.532 175.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -83.46 77.61 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -153.75 104.97 2.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.679 176.653 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.547 0.213 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.62 98.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.136 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.61 -47.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.48 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 20.9 t70 -77.03 136.13 66.37 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 21.1 Cg_exo -65.44 85.62 0.21 Allowed 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.736 2.29 . . . . 0.0 113.164 -177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.38 78.64 32.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -89.68 47.4 0.94 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.008 2.472 . . . . 0.0 112.92 -175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG3' ' HZ3' ' A' ' 10' ' ' TRP . 13.9 tppt? -129.72 110.69 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HD1' ' O ' ' A' ' 10' ' ' TRP . 45.4 p90 -128.93 166.85 18.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.384 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.458 ' O ' ' HD1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -104.38 174.52 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.256 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -58.3 -38.55 77.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 110.621 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.8 m-85 -115.59 137.79 23.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.308 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.7 Cg_exo -74.5 176.13 10.12 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.886 2.39 . . . . 0.0 112.905 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.59 133.37 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.855 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.19 53.38 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.237 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.07 133.54 33.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.724 0.297 . . . . 0.0 110.398 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.96 132.04 34.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.302 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.7 m -140.39 147.24 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.392 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 36.6 mt-10 -102.99 144.03 31.8 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 20' ' ' ILE . 3.1 mp -82.12 128.18 38.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.008 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.59 23.23 4.0 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.626 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 27.6 t-20 -61.92 88.06 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.87 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PRO . 0.2 OUTLIER 87.05 31.14 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.318 175.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.807 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . . . -56.59 96.99 0.02 OUTLIER 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.461 172.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.722 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . 26.5 ttt85 -85.51 93.36 8.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.817 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 59.04 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.478 0.711 . . . . 0.0 112.029 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.51 25.09 2.0 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 p -169.69 76.35 0.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.654 0.74 . . . . 0.0 109.281 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.807 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 6.2 Cg_exo -80.01 -146.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.666 2.91 . . . . 0.0 111.224 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -78.8 45.81 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 61.3 20.23 10.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.87 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.795 HG22 ' HB2' ' A' ' 29' ' ' PRO . 26.0 m -86.91 -164.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.16 29.75 16.42 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -167.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -100.49 156.16 17.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.926 -1.137 . . . . 0.0 108.867 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 59.3 mttm -97.5 145.37 26.29 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.513 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.35 -171.75 25.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.084 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.92 140.55 25.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 49' ' ' TYR . 82.8 mt -76.32 114.46 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 pt -108.04 -12.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.612 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 8.5 tp10 -154.42 154.27 32.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 111.252 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -100.62 137.29 39.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.59 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.57 151.39 48.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 111.252 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -125.19 69.4 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.067 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 46' ' ' THR . 32.7 t -104.14 15.11 29.16 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -175.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.7 -42.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.521 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.497 ' H ' ' C ' ' A' ' 44' ' ' SER . 66.7 p -92.46 -33.05 14.66 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.271 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -127.36 140.51 52.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -106.99 -17.2 14.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.689 -176.344 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.895 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 78.2 m-85 -139.58 152.59 46.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.911 0.386 . . . . 0.0 111.761 -173.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -104.83 116.37 31.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.9 t -108.19 129.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.191 0.519 . . . . 0.0 111.695 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -94.42 117.18 29.73 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.084 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 57' ' ' ASP . 7.5 t70 -65.37 175.99 1.55 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.679 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HG2' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -91.84 -13.22 31.75 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -178.751 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -84.43 -23.13 30.13 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 112.417 -2.174 . . . . 0.0 110.202 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.5 11.83 26.22 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.065 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' ASP . 27.0 t70 -90.49 140.19 29.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -106.03 113.05 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -136.9 144.27 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.955 0.407 . . . . 0.0 110.745 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -84.73 138.31 32.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.691 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -137.26 171.81 13.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.619 . . . . 0.0 111.806 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 9.1 tmtm? -119.71 136.1 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.895 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -67.95 -5.26 16.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -168.359 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' H ' ' HD3' ' A' ' 62' ' ' LYS . 38.5 t-80 -79.45 -27.37 41.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HB3' ' HA ' ' A' ' 22' ' ' ASN . 8.8 mp0 -111.35 24.06 13.28 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.847 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 63' ' ' GLU . 78.4 mt -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.963 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.6 m -124.56 109.3 28.58 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.22 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HA ' HG12 ' A' ' 18' ' ' VAL . 31.8 Cg_endo -64.41 151.81 84.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.082 2.521 . . . . 0.0 113.299 -175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 19' ' ' GLU . 90.5 mt -103.23 117.2 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.662 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -122.94 44.1 2.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.709 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.15 95.33 0.84 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.263 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.76 49.74 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -94.46 -54.55 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.47 16.62 24.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.423 0.63 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.571 ' HE2' HD22 ' A' ' 77' ' ' LEU . 82.5 t80 -151.07 99.48 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.105 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.8 124.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.403 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD22 ' HE2' ' A' ' 75' ' ' TYR . 49.5 tp -154.54 154.02 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.9 -176.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.72 143.85 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.281 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -118.39 -72.88 0.67 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -143.8 105.52 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -68.54 161.74 27.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.544 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -59.93 119.11 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.603 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -94.94 17.66 13.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.524 0.678 . . . . 0.0 109.744 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.658 -0.686 . . . . 0.0 110.277 -177.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.108 0.48 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.13 113.9 20.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.095 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.32 -32.89 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.134 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -124.5 106.8 29.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.708 0.289 . . . . 0.0 110.335 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -91.88 -163.18 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.133 2.555 . . . . 0.0 112.379 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.66 145.98 33.27 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.68 122.34 10.88 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 112.034 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.84 15.21 20.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.523 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -130.36 150.83 51.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.782 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -60.52 123.36 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.587 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -94.95 -19.39 20.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.068 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 33.3 m-85 -92.66 120.59 67.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.495 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.1 Cg_exo -72.08 165.31 32.99 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.064 2.509 . . . . 0.0 112.407 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.85 119.39 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.09 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.3 -6.15 19.19 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.133 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.9 tp -77.99 126.48 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.786 0.327 . . . . 0.0 110.347 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.46 120.26 25.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.548 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.2 m -130.97 142.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.3 pt-20 -102.15 162.18 13.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.194 0.521 . . . . 0.0 111.014 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 20' ' ' ILE . 3.9 mp -95.37 107.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.444 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.72 168.0 17.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 3.9 m-20 -79.17 31.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -101.97 -24.4 14.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.979 0.419 . . . . 0.0 109.894 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.73 22.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.331 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -58.38 -43.25 88.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.634 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -94.08 105.9 17.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.57 -42.9 1.04 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 t -151.01 87.19 4.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.986 0.422 . . . . 0.0 109.874 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -74.32 154.24 45.91 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.562 2.175 . . . . 0.0 112.118 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t60 64.63 25.13 13.09 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.798 0.809 . . . . 0.0 110.162 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -144.6 15.04 1.6 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.523 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 38.2 t -89.3 135.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.954 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.57 72.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.64 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.661 ' HB3' ' OD1' ' A' ' 53' ' ' ASP . 23.5 mmm180 -85.67 159.54 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 57.1 mttm -129.58 115.97 18.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.132 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 53' ' ' ASP . . . -126.26 -167.36 12.42 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.01 134.13 38.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.697 0.284 . . . . 0.0 110.239 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 51' ' ' VAL . 75.1 mt -76.81 119.46 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.51 -17.56 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 38.4 mt-10 -142.05 154.29 44.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.897 0.38 . . . . 0.0 111.169 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -109.02 126.57 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.538 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 134.82 44.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -91.63 84.42 5.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.749 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.1 t -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.916 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.62 -7.18 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.66 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 8.4 p -109.2 -31.91 7.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' SER . 28.9 m-85 -133.36 119.64 19.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.7 m-20 -96.84 -27.37 14.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.627 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 75.7 m-85 -134.64 153.3 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.224 0.535 . . . . 0.0 112.163 -171.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -107.74 112.51 25.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.025 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 38' ' ' ILE . 59.1 t -110.57 118.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -98.08 114.97 27.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.067 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 20.9 t70 -64.27 160.91 17.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.065 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.3 -24.9 61.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p -73.59 -15.59 61.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.036 0.446 . . . . 0.0 111.386 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.33 43.71 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.989 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.41 113.01 13.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.645 0.259 . . . . 0.0 110.704 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.83 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.879 0.371 . . . . 0.0 110.105 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.52 166.65 14.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.065 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.0 m-85 -122.04 130.52 53.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -143.18 -179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.071 0.462 . . . . 0.0 111.492 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' THR . 0.7 OUTLIER -105.05 159.11 16.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.538 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.744 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.87 -35.32 70.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -68.96 -29.66 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 0.0 111.539 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.77 10.22 39.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.32 125.51 49.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.8 m -114.76 114.97 44.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HA ' HG12 ' A' ' 18' ' ' VAL . 22.5 Cg_exo -64.11 140.76 73.34 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.619 2.212 . . . . 0.0 112.005 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.89 128.36 35.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.712 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 38.9 ttmt -71.62 -45.13 63.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.914 -172.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.12 -88.89 1.5 Allowed Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.7 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.55 96.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.941 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.672 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.4 pt? -97.44 -29.1 13.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.85 40.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -120.4 14.33 11.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 110.269 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -88.61 66.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp 45.54 91.21 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -88.63 -45.93 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.482 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.83 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.511 0.507 . . . . 0.0 111.101 174.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.4 m170 64.67 174.71 0.2 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.708 0.63 . . . . 0.0 111.234 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 61.04 93.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.11 94.68 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 111.973 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -112.35 -7.23 13.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--O 1.247 0.921 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.783 176.084 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.8 87.83 4.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.92 0.39 . . . . 0.0 110.167 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.71 14.95 2.44 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.773 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.708 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 8.4 p-10 -87.36 163.81 37.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.708 ' HD2' ' HB2' ' A' ' 4' ' ' ASP . 18.6 Cg_endo -58.82 103.07 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.207 2.605 . . . . 0.0 114.09 -174.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 10.4 mp -121.89 122.45 27.73 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.452 171.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 7.9 Cg_exo -72.33 -83.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.537 2.158 . . . . 0.0 112.586 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 85.7 tttt 174.03 -95.74 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.9 t80 178.41 151.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.487 ' HA ' ' OH ' ' A' ' 49' ' ' TYR . 6.0 m-90 63.25 85.57 0.13 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.394 0.434 . . . . 0.0 110.212 -172.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 26.4 m -76.32 -8.15 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 111.512 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.585 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 97.4 m-85 -96.49 107.23 34.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 11' ' ' SER . 12.1 Cg_exo -70.65 149.38 61.11 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.888 2.392 . . . . 0.0 112.174 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.35 113.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.036 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.87 -6.61 13.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.05 125.92 32.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.768 0.318 . . . . 0.0 110.46 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.83 130.82 36.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.877 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.7 m -133.47 160.37 42.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.1 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -112.81 148.03 35.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.803 0.335 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp -82.41 133.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.849 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -76.76 164.68 25.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.041 0.448 . . . . 0.0 111.241 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 65.1 t30 -81.35 26.55 0.45 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.839 0.828 . . . . 0.0 110.95 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -104.95 -6.66 19.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.411 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 32' ' ' VAL . . . -81.8 10.13 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -53.49 -42.86 67.72 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.389 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.1 12.19 30.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 0.0 110.356 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.7 -44.61 1.77 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.789 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 t -166.95 104.67 0.64 Allowed Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.85 153.03 64.11 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.313 2.009 . . . . 0.0 112.126 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.3 m170 66.24 25.58 10.56 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.367 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 59' ' ' THR . 0.1 OUTLIER -138.73 12.9 2.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 -176.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 24' ' ' ALA . 48.5 t -101.53 136.24 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.25 40.09 61.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.319 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -122.87 173.67 7.64 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 81.6 tttt -105.58 134.53 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.494 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.49 174.24 22.37 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -129.7 135.68 48.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.869 0.334 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.692 HD13 HG22 ' A' ' 51' ' ' VAL . 44.1 mm -62.23 123.36 14.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 pt -117.66 -17.9 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.056 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -162.04 157.7 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.855 0.36 . . . . 0.0 110.689 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -101.88 129.6 48.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.734 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.47 158.72 16.16 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -119.75 81.06 1.67 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.679 0.752 . . . . 0.0 109.43 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.65 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 41.9 t -141.44 150.3 42.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.032 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -26.06 59.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.369 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -91.58 -43.37 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.246 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.661 ' CD1' ' HA ' ' A' ' 61' ' ' PHE . 37.9 m-85 -140.2 119.92 13.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.588 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.96 5.81 28.57 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.895 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.82 ' HE2' ' HG3' ' A' ' 63' ' ' GLU . 98.9 m-85 -136.36 145.66 45.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.24 0.543 . . . . 0.0 111.917 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.95 111.82 21.74 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.692 HG22 HD13 ' A' ' 38' ' ' ILE . 21.8 t -109.84 154.53 11.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.891 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 p -118.6 117.13 28.13 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.81 149.04 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.876 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 10.1 pt-20 -64.36 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.197 0.522 . . . . 0.0 110.451 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -81.1 -12.64 59.23 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.37 1.98 41.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.362 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.71 171.08 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.9 mt -118.15 126.78 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.481 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.776 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -106.39 92.3 4.07 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.933 -177.576 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.9 101.02 13.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.776 ' CE1' HG22 ' A' ' 59' ' ' THR . 85.6 m-85 -142.24 -176.11 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG2' ' OE2' ' A' ' 63' ' ' GLU . 2.5 tttm -114.05 -179.63 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.82 ' HG3' ' HE2' ' A' ' 49' ' ' TYR . 2.6 mp0 -49.67 -36.7 25.82 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.762 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -74.29 -26.32 60.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -93.62 -6.75 45.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.024 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 mt -116.78 146.42 42.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -173.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -137.32 124.05 13.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.177 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 51.0 Cg_endo -70.47 152.21 65.48 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.059 1.84 . . . . 0.0 112.261 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -79.92 52.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.222 0.534 . . . . 0.0 110.644 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 73' ' ' LEU . 28.7 mtpp -80.47 86.99 5.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.793 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.25 -58.09 1.6 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.101 173.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.5 52.38 0.48 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 70' ' ' LYS . 8.8 mp -84.15 78.82 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.304 0.573 . . . . 0.0 110.708 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.98 55.05 1.3 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.652 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -95.89 164.33 12.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.624 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.6 t 71.11 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.779 0.674 . . . . 0.0 112.032 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt 64.82 88.77 0.1 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -172.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -46.01 92.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.841 -170.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 59.61 -165.44 0.2 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -171.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -105.54 -25.88 12.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.89 132.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.04 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.41 -58.78 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -169.14 -43.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.459 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.1 m80 . . . . . 0 C--O 1.243 0.744 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.967 171.085 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.87 -39.47 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.65 179.4 43.08 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.925 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 55.52 71.43 1.26 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 111.295 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -92.56 23.65 0.53 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.207 2.604 . . . . 0.0 112.618 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -118.74 94.6 48.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 68.8 Cg_endo -90.91 11.04 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.853 2.369 . . . . 0.0 113.732 -175.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 44.5 mmtt 68.83 151.64 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.71 0.631 . . . . 0.0 111.359 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -140.97 146.63 37.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.431 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 43' ' ' HIS . 9.7 m-90 -68.48 102.95 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.484 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -81.89 -10.9 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.344 -177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.69 121.18 53.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD22 ' A' ' 16' ' ' LEU . 21.9 Cg_exo -65.83 167.11 18.34 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 123.303 2.669 . . . . 0.0 113.165 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.47 133.2 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.17 9.15 58.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.386 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.536 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.8 tp -82.19 120.92 25.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -75.7 122.3 23.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 68' ' ' PRO . 28.1 m -131.97 164.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.146 0.498 . . . . 0.0 111.045 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -123.28 149.92 44.17 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.5 mp -82.56 113.42 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.126 -175.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -81.99 34.25 0.4 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.38 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -101.95 -39.85 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.303 0.573 . . . . 0.0 109.827 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . . . -83.01 16.88 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -15.43 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.151 -175.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -82.19 -23.23 35.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 109.891 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.7 -17.87 31.87 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.868 ' HB3' ' HB2' ' A' ' 31' ' ' HIS . 71.1 m -136.27 75.84 51.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.499 -0.35 . . . . 0.0 110.2 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -63.83 111.87 1.66 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.806 2.337 . . . . 0.0 112.158 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 t60 59.2 28.27 17.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.967 0.889 . . . . 0.0 110.301 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.868 ' HB2' ' HB3' ' A' ' 28' ' ' CYS . 49.3 m170 -114.43 0.66 14.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.195 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.4 m -92.27 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.673 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.35 -7.08 82.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.252 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -86.09 172.01 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.704 ' HG2' HD21 ' A' ' 69' ' ' LEU . 3.1 mtmm -118.65 159.67 23.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.056 0.455 . . . . 0.0 111.503 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.5 -168.04 24.87 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.243 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -147.57 128.78 14.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.678 0.275 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.82 118.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.823 HG13 ' HG2' ' A' ' 40' ' ' GLU . 29.6 pt -113.5 -17.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.823 ' HG2' HG13 ' A' ' 39' ' ' ILE . 63.6 mm-40 -131.97 142.88 49.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.125 -174.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -99.27 97.47 8.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.78 111.93 16.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 2.4 p-80 -79.82 77.41 6.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.04 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.4 t -137.51 172.27 13.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.719 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.91 17.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.398 0.618 . . . . 0.0 109.651 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -90.97 -56.55 3.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.748 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -117.18 142.49 46.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.756 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -102.83 -31.22 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.436 . . . . 0.0 110.582 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 58.2 m-85 -135.79 151.13 49.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 111.481 -174.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -111.87 116.89 31.39 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.93 130.81 47.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.691 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.47 ' HB2' HD13 ' A' ' 39' ' ' ILE . 29.8 t -89.41 100.51 13.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 4.9 m-20 -60.1 149.96 31.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.74 -27.56 65.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.074 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -81.72 0.68 37.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.722 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.18 -0.26 60.16 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 11.9 m-20 -81.22 169.24 17.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.561 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -134.22 104.85 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.2 m -112.37 137.86 49.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.397 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -89.98 131.49 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.092 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.62 -177.38 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.961 0.41 . . . . 0.0 110.771 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.632 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 31.8 tttp -122.59 168.18 12.48 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 49' ' ' TYR . 8.7 pt-20 -53.0 -35.31 59.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -173.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -100.21 9.85 42.14 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.887 -173.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.632 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 5.7 mp0 -101.89 -11.47 18.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.412 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.11 144.83 43.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.548 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -133.97 120.86 15.45 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.815 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' HG12 ' A' ' 18' ' ' VAL . 19.3 Cg_endo -58.64 148.42 82.24 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.777 2.318 . . . . 0.0 112.479 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 35' ' ' LYS . 85.3 mt -65.91 150.41 48.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 110.6 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -86.42 76.11 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.377 -167.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.66 2.33 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 113.458 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.62 -39.66 2.22 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 57.43 31.24 19.9 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.037 0.535 . . . . 0.0 111.789 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.38 -9.02 58.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.981 0.419 . . . . 0.0 110.988 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.47 67.01 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -135.86 -2.65 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.655 0.74 . . . . 0.0 109.792 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.92 80.51 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.132 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.64 122.39 8.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -126.81 12.67 7.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.823 0.344 . . . . 0.0 110.502 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 74.16 -61.17 0.5 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.576 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -134.05 93.01 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -152.21 -57.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.024 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -99.15 -17.81 17.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.633 0.73 . . . . 0.0 109.23 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.8 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.666 176.206 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.877 0.37 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.01 24.46 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.418 0.628 . . . . 0.0 110.21 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.47 154.57 10.56 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.361 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 t70 -80.32 108.85 10.58 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 62.9 Cg_endo -101.2 16.05 0.35 Allowed 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 123.474 2.783 . . . . 0.0 113.537 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 60.5 tp -53.42 106.08 0.61 Allowed Pre-proline 0 N--CA 1.469 0.502 0 O-C-N 123.688 0.617 . . . . 0.0 111.586 -175.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 6' ' ' LEU . 96.6 Cg_endo -100.08 -0.21 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.238 2.626 . . . . 0.0 113.811 -175.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -120.76 123.43 42.63 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.639 -176.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -126.12 -79.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.476 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 3.6 m-90 -132.09 114.33 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.572 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -91.1 -36.05 14.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.5 m-85 -94.78 124.81 53.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.006 -175.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 16.0 Cg_exo -68.16 165.24 29.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.053 2.502 . . . . 0.0 112.543 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.71 138.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.266 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.2 55.01 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.15 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 68' ' ' PRO . 52.6 tp -88.63 128.89 35.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 0.0 110.537 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.21 130.28 35.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.404 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG21 HD13 ' A' ' 66' ' ' LEU . 20.1 m -136.29 144.53 32.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.494 -176.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -101.71 146.18 28.11 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.96 127.99 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -135.89 170.89 15.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -171.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 53.86 38.66 29.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.964 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 9.7 p30 52.12 11.09 0.14 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.742 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' CYS . . . 64.57 -46.49 0.32 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.068 0.947 . . . . 0.0 113.018 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 69.89 -71.36 0.13 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.588 0.755 . . . . 0.0 111.689 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -114.66 92.65 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.921 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.68 -48.5 0.59 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.83 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.603 ' HB2' ' HE1' ' A' ' 61' ' ' PHE . 11.9 t -149.49 84.4 6.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.55 109.22 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.106 2.537 . . . . 0.0 113.61 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 t60 59.31 70.34 0.65 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.66 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' HB3' ' HD3' ' A' ' 34' ' ' ARG . 60.8 m80 -140.46 34.98 1.85 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.684 174.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 23' ' ' ASN . 61.4 t -69.59 138.55 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.764 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.43 -22.01 23.06 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.598 ' HD3' ' HB3' ' A' ' 31' ' ' HIS . 30.8 mtp180 -79.31 119.64 22.65 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 9.7 mtmp? -103.0 141.6 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.107 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.18 -177.52 15.02 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.358 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 33.4 ttpt -136.63 121.61 18.87 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.98 122.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.014 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.57 -19.48 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 33.5 tt0 -149.09 139.09 22.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.924 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.476 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . 43.4 m170 -88.84 117.26 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 50' ' ' ALA . 79.9 mt -85.34 135.55 33.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.586 -176.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -87.62 17.22 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.051 0.453 . . . . 0.0 110.457 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.3 t -84.67 174.05 10.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.118 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.68 -9.83 13.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.39 -39.46 12.66 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.567 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.49 127.46 35.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.82 -31.41 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -133.76 154.02 51.28 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.284 0.564 . . . . 0.0 112.384 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.19 115.94 30.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.89 130.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 p -83.85 103.12 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.543 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.27 158.83 8.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.645 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 25.7 tt0 -57.68 -25.38 60.19 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.782 0.433 . . . . 0.0 111.601 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 p -79.93 -9.24 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.033 0.444 . . . . 0.0 111.341 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.24 -3.52 61.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.302 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.35 136.33 36.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.49 0.186 . . . . 0.0 110.583 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.2 109.82 20.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 5.9 m -116.75 145.25 43.61 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -92.57 133.63 35.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' HE1' ' HB2' ' A' ' 28' ' ' CYS . 91.6 m-85 -136.23 171.66 14.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.965 0.412 . . . . 0.0 110.275 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 24.1 mtpp -106.55 -178.09 3.55 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.81 20.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 176.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -92.02 -40.31 11.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.511 ' OE1' ' HB2' ' A' ' 62' ' ' LYS . 16.9 mp0 -82.17 -13.41 57.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.4 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 18' ' ' VAL . 60.6 mt -107.07 137.84 44.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.173 0.511 . . . . 0.0 112.128 -171.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -123.5 124.8 26.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.876 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -64.51 131.9 31.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.167 2.578 . . . . 0.0 112.552 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -92.2 27.63 2.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.475 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -89.38 97.78 11.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.091 -176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.3 -45.46 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.308 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.76 -123.18 7.76 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.967 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -111.67 102.43 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 110.325 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.45 85.76 2.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -131.2 -61.05 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 65.7 t 69.04 108.45 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.839 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -91.83 148.31 22.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.79 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.4 124.18 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.107 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -96.51 48.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.472 0.654 . . . . 0.0 111.258 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -97.62 -4.16 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.008 171.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 24.2 p-80 -79.22 43.11 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.397 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 81' ' ' HIS . 44.3 m-70 70.68 169.7 0.31 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.741 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 63.01 72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.478 . . . . 0.0 110.092 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.875 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.46 94.65 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.078 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.25 37.11 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.38 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -134.76 95.74 15.43 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 72.1 Cg_endo -78.76 -31.73 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.477 2.118 . . . . 0.0 113.378 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 11.0 mp 68.14 128.61 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 O-C-N 123.688 0.617 . . . . 0.0 111.154 -174.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.66 109.81 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.885 2.39 . . . . 0.0 111.688 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -93.64 143.79 25.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.508 0.67 . . . . 0.0 112.624 -174.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -108.65 106.12 16.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -57.44 117.31 4.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.296 0.57 . . . . 0.0 111.991 -173.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -81.82 -23.69 36.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.94 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 97.5 m-85 -95.75 109.58 46.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.896 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' HD22 ' A' ' 16' ' ' LEU . 92.8 Cg_endo -80.82 168.13 17.82 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.877 2.385 . . . . 0.0 113.104 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.3 140.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.986 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.22 24.76 35.93 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.172 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.9 tp -107.84 124.33 49.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.67 124.67 30.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 26.8 m -133.91 148.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.69 122.67 41.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.721 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.8 mp -72.71 136.8 24.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.762 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.7 p-10 -135.13 70.33 1.44 Allowed 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.92 ' HA ' ' HG2' ' A' ' 65' ' ' GLU . 28.4 t-20 -66.55 82.18 0.1 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t30 75.52 -30.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.635 -173.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . . . 61.17 3.94 0.79 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 27.6 tpt180 47.88 -98.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.759 0.424 . . . . 0.0 110.015 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -153.74 88.54 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.23 -19.93 19.85 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.529 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 15.3 p -165.3 113.86 0.83 Allowed Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.7 ' HG3' ' HA ' ' A' ' 24' ' ' ALA . 39.3 Cg_endo -89.08 -156.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.137 2.558 . . . . 0.0 112.32 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -84.52 78.23 9.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.341 . . . . 0.0 110.816 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.2 m170 67.22 -21.8 0.11 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 22' ' ' ASN . 6.9 m -68.14 166.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.721 ' HA2' ' O ' ' A' ' 20' ' ' ILE . . . 118.18 23.18 3.61 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.173 -1.013 . . . . 0.0 110.94 -173.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -70.44 150.36 46.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -100.86 99.15 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.89 -178.59 15.77 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.405 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -130.24 129.56 43.48 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' TYR . 59.8 mt -66.01 132.42 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.222 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -119.8 -30.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 42.2 tt0 -141.82 143.21 33.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.648 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.76 130.78 39.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -112.5 134.25 54.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 0.0 110.989 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -100.72 89.64 3.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.532 0.682 . . . . 0.0 109.668 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.541 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 44.3 t -151.07 -179.52 7.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.425 -175.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.32 4.16 9.72 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 m -120.49 -30.78 4.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.831 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 44' ' ' SER . 66.5 m-85 -148.62 115.59 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.64 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.3 m-20 -104.2 -16.61 15.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.731 0.3 . . . . 0.0 111.391 -168.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.777 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 94.7 m-85 -144.18 153.17 41.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.72 118.11 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.357 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.9 133.26 58.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -96.64 107.27 19.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.82 148.71 48.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.75 -20.55 35.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.661 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 t -70.54 -17.98 62.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.365 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.99 7.1 33.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.213 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.2 160.87 13.99 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.6 mt -122.65 114.75 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.547 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -124.48 142.69 51.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.887 0.375 . . . . 0.0 110.645 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' ' HB3' ' A' ' 47' ' ' TYR . 6.6 m-30 -89.54 140.71 29.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 82.4 m-85 -143.37 175.64 9.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -176.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 21.4 ttmm -113.51 155.34 25.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.061 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.777 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 8.1 pt-20 -57.96 -19.72 32.5 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.745 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -75.26 -25.91 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.479 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.92 ' HG2' ' HA ' ' A' ' 22' ' ' ASN . 10.1 mp0 -111.82 30.58 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 91.5 mt -121.31 120.92 36.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 111.539 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -124.73 109.32 28.21 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 31.6 Cg_endo -63.98 144.77 88.72 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.829 2.353 . . . . 0.0 112.848 -177.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.38 111.46 4.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.643 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -101.1 105.29 16.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.363 0.601 . . . . 0.0 110.411 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.46 -27.27 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.351 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.55 20.29 30.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.895 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tt -78.8 -68.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 21.76 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.754 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -86.54 -31.15 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.442 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG22 ' H ' ' A' ' 78' ' ' GLU . 12.0 p -124.82 128.49 73.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.251 0.548 . . . . 0.0 110.869 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.92 21.0 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.659 ' H ' HG22 ' A' ' 76' ' ' VAL . 30.5 tt0 -69.32 110.7 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.208 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -59.95 114.47 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.294 0.569 . . . . 0.0 110.416 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.33 75.77 8.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.9 -175.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 52.65 78.73 0.13 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.591 174.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -136.89 105.06 5.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.347 0.594 . . . . 0.0 112.335 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -107.8 -17.16 14.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 162.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 C--O 1.242 0.686 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.938 173.088 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.79 0.328 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.07 107.4 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.548 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.23 -74.42 0.53 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.558 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 34.8 m-20 -134.13 144.3 50.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 122.749 -0.265 . . . . 0.0 110.809 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 14.6 Cg_exo -70.48 113.3 3.45 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.841 2.361 . . . . 0.0 111.824 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' HG ' ' HD2' ' A' ' 7' ' ' PRO . 16.2 tp -104.64 146.75 33.22 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.464 ' HD2' ' HG ' ' A' ' 6' ' ' LEU . 63.0 Cg_exo -40.32 132.44 2.28 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.313 2.675 . . . . 0.0 112.539 175.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -72.09 144.26 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.6 . . . . 0.0 111.676 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' TRP . 80.0 t80 -171.89 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.369 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 24.8 m-90 69.93 95.89 0.07 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.551 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -54.7 -23.87 19.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.154 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.852 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 94.8 m-85 -102.53 105.77 45.74 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-O 120.933 0.396 . . . . 0.0 110.28 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.57 166.8 28.28 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.132 2.555 . . . . 0.0 112.27 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.62 129.68 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.85 11.72 49.18 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.126 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -91.32 130.29 37.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.777 0.323 . . . . 0.0 110.224 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.66 120.41 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.038 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.7 m -129.62 166.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.358 0.599 . . . . 0.0 111.066 -176.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 67' ' ' THR . 15.2 pt-20 -115.19 137.58 51.86 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.939 173.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 34' ' ' ARG . 2.9 mp -78.95 124.58 37.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.6 p-10 -130.65 37.75 3.79 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.81 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 5.0 t30 -50.69 85.92 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.982 1.426 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ASN . 92.7 m-20 58.84 22.33 10.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.447 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.764 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . . . -52.48 -36.25 54.52 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -99.89 -8.31 24.19 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.108 -175.29 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -161.77 98.38 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.648 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.47 -46.69 1.07 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.54 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.5 m -137.79 69.7 51.3 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 82.3 Cg_endo -75.96 137.85 20.12 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.923 2.415 . . . . 0.0 112.632 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 63.79 27.89 14.69 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -126.58 -39.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.185 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.764 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . 4.3 t -100.21 139.47 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.107 0.479 . . . . 0.0 111.247 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.99 73.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.738 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 7.2 tpt180 -125.88 146.67 49.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.63 -0.285 . . . . 0.0 110.884 -169.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 37.4 mttp -102.22 139.77 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.67 170.97 31.82 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.177 -1.011 . . . . 0.0 113.16 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' OG ' ' A' ' 52' ' ' SER . 20.4 tptm -130.37 118.94 21.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.1 mt -74.95 119.88 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.559 0.218 . . . . 0.0 110.602 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 ' HG3' ' A' ' 40' ' ' GLU . 22.0 pt -116.48 -26.15 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 42.3 mt-10 -136.11 153.98 51.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.054 -175.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -113.8 111.13 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.062 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 60' ' ' TYR . 42.7 mt -89.03 -45.23 9.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 10.5 t-80 68.13 91.99 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.804 0.69 . . . . 0.0 109.746 -171.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.723 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.5 t -157.04 151.18 24.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.468 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.4 -21.36 64.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -108.95 -36.44 6.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.988 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' O ' ' HB3' ' A' ' 44' ' ' SER . 16.8 p90 -144.5 116.4 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.224 0.535 . . . . 0.0 111.393 -177.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 20.4 m-20 -101.17 -10.71 20.16 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.027 -0.421 . . . . 0.0 111.629 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.745 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 42.2 m-85 -128.81 142.88 50.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -175.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -105.82 123.68 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.72 124.22 71.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.07 -172.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 37' ' ' LYS . 35.9 p -85.22 104.83 15.44 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.18 164.22 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.975 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 35' ' ' LYS . 14.7 pt-20 -63.8 -16.07 60.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.631 175.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.3 p -88.51 -7.75 56.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.222 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.94 0.13 66.45 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.1 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.31 150.32 21.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -99.61 112.4 31.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.938 0.399 . . . . 0.0 111.292 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.7 p -101.98 170.99 7.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CD1' HD11 ' A' ' 42' ' ' LEU . 73.5 m-85 -134.27 114.52 13.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.792 0.33 . . . . 0.0 110.196 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.04 174.3 10.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.058 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 34.4 tttp -104.87 164.2 11.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.745 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.0 pt-20 -64.59 -29.37 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -172.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -69.27 -35.18 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.399 0.618 . . . . 0.0 110.208 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.81 ' HB3' ' HA ' ' A' ' 22' ' ' ASN . 19.9 mp0 -86.14 8.42 21.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.356 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.9 135.47 55.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.9 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.1 m -135.07 130.67 19.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.852 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 42.9 Cg_endo -67.25 148.47 80.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.269 1.979 . . . . 0.0 112.521 -175.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.81 111.9 5.18 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -104.5 173.66 6.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.539 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.97 -43.63 1.66 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.85 -110.53 3.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.167 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 tp -159.82 -85.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.517 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.1 45.63 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.327 0.584 . . . . 0.0 110.153 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -102.28 86.6 2.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.298 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.0 t -132.22 -60.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.964 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tt 59.61 83.36 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.672 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -74.14 -36.03 64.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.725 -175.131 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 56.91 41.03 28.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.623 . . . . 0.0 110.574 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -101.26 133.38 45.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -111.77 153.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -64.84 104.65 0.87 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 t60 41.61 77.05 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.281 170.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.8 t60 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.564 174.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 121.172 0.51 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.87 -30.27 2.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.957 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.0 -81.74 0.35 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.778 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 27.4 t70 -121.38 123.57 27.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 39.6 Cg_exo -60.95 156.0 46.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.302 2.668 . . . . 0.0 113.419 -174.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 95.8 mt -84.5 145.52 45.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 6' ' ' LEU . 13.4 Cg_exo -71.06 19.3 0.23 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.44 2.76 . . . . 0.0 113.698 -176.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.64 -32.48 71.18 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 109.307 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -114.95 133.66 55.82 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.481 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 31.7 m-90 -61.35 123.54 18.06 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.405 0.441 . . . . 0.0 111.855 -174.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m -70.88 -31.53 68.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.492 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.505 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 5.7 m-85 -102.51 134.69 19.8 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -176.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.7 Cg_endo -85.67 179.66 3.78 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.091 2.527 . . . . 0.0 112.971 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.14 140.68 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.199 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.08 63.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.1 tp -91.71 127.51 37.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.68 130.64 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 68' ' ' PRO . 25.4 m -139.87 153.19 22.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 37.3 mt-10 -107.47 149.27 28.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 34' ' ' ARG . 2.0 mp -67.76 125.57 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.09 166.36 23.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.364 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -79.73 28.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.81 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -119.16 -23.25 6.86 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.097 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.66 33.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.659 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.26 -11.47 56.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -86.15 125.24 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.235 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.4 -56.5 2.38 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.742 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.4 m -124.01 84.31 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.186 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.06 34.13 0.45 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.986 2.458 . . . . 0.0 113.634 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.9 27.87 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.686 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -111.94 3.48 17.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -81.18 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.562 -177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.63 11.25 59.51 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.657 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HB3' HD13 ' A' ' 20' ' ' ILE . 18.2 tpt180 -94.52 145.5 24.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HG2' ' HG2' ' A' ' 19' ' ' GLU . 41.4 mttp -100.9 149.8 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.575 0.226 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.69 -172.36 30.05 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.305 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -145.22 138.53 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.537 0.208 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.3 mt -75.18 120.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.49 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 52' ' ' SER . 36.5 pt -121.99 -0.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.88 156.97 25.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . 37.6 m80 -108.5 128.7 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.383 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -123.86 169.14 11.88 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -151.07 95.24 2.16 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 170.758 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -142.99 168.95 18.49 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.583 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.36 -8.38 59.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.11 0.481 . . . . 0.0 110.408 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 p -109.55 -36.15 6.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.198 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.741 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -158.46 149.84 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 52.4 m-20 -124.47 2.89 8.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.702 0.287 . . . . 0.0 111.46 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 96.5 m-85 -142.92 141.42 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.43 111.18 23.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -106.8 123.91 62.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.734 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.483 ' HB3' HD13 ' A' ' 39' ' ' ILE . 78.2 p -87.3 111.24 20.86 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.03 165.05 2.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.207 0.527 . . . . 0.0 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.22 -11.33 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.305 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -104.22 0.79 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.47 12.6 60.97 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.664 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -87.0 119.06 26.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.87 106.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.812 0.339 . . . . 0.0 110.712 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -120.76 138.66 53.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.453 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 5.0 m-85 -97.98 135.53 39.55 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.48 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.76 169.12 18.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.741 ' HG3' ' HA ' ' A' ' 47' ' ' TYR . 59.2 mttm -97.16 156.83 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 169.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.8 pt-20 -60.14 -21.03 61.11 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -70.22 -22.28 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.547 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -99.79 15.3 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -127.37 142.02 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.0 111.355 -175.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 25.9 m -116.18 120.68 34.79 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.296 173.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 18' ' ' VAL . 7.5 Cg_exo -70.65 132.26 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.783 2.322 . . . . 0.0 112.635 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 19' ' ' GLU . 74.8 mt -81.07 166.03 21.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.028 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 97.8 mttt 70.32 -67.71 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.581 0.551 . . . . 0.0 110.039 -172.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.21 10.38 9.91 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 114.627 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.06 50.15 70.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.061 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 70' ' ' LYS . 85.5 mt -71.68 7.91 1.32 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 67.49 6.64 5.06 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.064 0.545 . . . . 0.0 111.853 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -91.08 6.3 45.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.766 0.793 . . . . 0.0 109.469 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.8 t -83.28 102.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.66 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.31 145.99 47.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -63.05 92.72 0.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 111.242 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 m80 67.87 -87.78 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.229 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 51.36 43.34 29.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.361 0.6 . . . . 0.0 109.99 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -78.77 0.14 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.882 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -93.35 82.73 4.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.243 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -120.42 15.87 12.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.748 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ppp? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.74 22.22 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.926 0.393 . . . . 0.0 110.284 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.67 90.9 2.18 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.6 116.11 8.28 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 123.933 0.431 . . . . 0.0 111.88 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 -159.43 0.09 OUTLIER 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.087 2.525 . . . . 0.0 112.35 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp 65.78 92.33 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.358 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.78 76.27 0.59 Allowed 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.07 2.513 . . . . 0.0 112.786 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.24 7.1 38.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.832 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -129.11 -166.62 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.083 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.534 ' CD1' ' HB2' ' A' ' 41' ' ' HIS . 9.0 m-90 -64.12 134.08 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.814 -174.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -86.61 -24.02 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 89.3 m-85 -107.14 135.21 19.64 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.806 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 5.3 Cg_exo -79.33 173.51 13.15 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.922 2.415 . . . . 0.0 112.915 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.64 134.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.352 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.81 1.44 45.96 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.064 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -82.86 127.25 33.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.735 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.11 123.85 30.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.199 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.8 m -134.52 159.27 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -175.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB3' HD21 ' A' ' 69' ' ' LEU . 11.0 pt-20 -105.64 152.87 22.58 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 169.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.487 HG12 ' CE2' ' A' ' 61' ' ' PHE . 4.0 mp -91.38 128.53 43.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 65' ' ' GLU . 3.7 m-20 -75.6 142.31 42.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.364 -176.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -77.7 48.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.321 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.673 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 4.3 m-20 -109.63 -8.61 14.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 92.59 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.452 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -96.49 -1.73 46.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.85 152.22 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.933 -1.031 . . . . 0.0 108.893 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.66 -60.34 4.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.323 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.5 p -134.9 71.34 69.86 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.518 . . . . 0.0 110.02 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.8 110.19 0.71 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.113 2.542 . . . . 0.0 113.068 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.2 t60 64.62 25.76 13.16 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -120.8 26.7 8.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.65 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG12 ' H ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -90.14 -171.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.742 -172.423 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.653 ' H ' HG12 ' A' ' 32' ' ' VAL . . . 75.28 33.63 53.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -114.3 167.38 10.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -105.1 137.3 43.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.466 . . . . 0.0 110.919 -175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.41 -168.38 14.86 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.007 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -145.44 142.6 29.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.74 112.3 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -97.79 -15.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.436 . . . . 0.0 111.06 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -172.71 150.46 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.534 ' HB2' ' CD1' ' A' ' 10' ' ' TRP . 1.4 p-80 -105.58 132.48 51.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.458 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.0 mt -91.67 146.41 23.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.556 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -88.35 55.65 3.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 32.4 t -119.85 159.89 23.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.237 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.87 -23.72 18.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 p -87.5 -46.01 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.164 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 44' ' ' SER . 78.2 m-85 -135.11 122.04 21.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -99.13 -9.12 24.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -170.728 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.739 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 84.7 m-85 -136.67 150.82 48.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.862 -0.524 . . . . 0.0 111.58 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.4 113.15 25.39 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.8 122.35 56.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 p -84.13 104.85 14.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.388 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD1' HG22 ' A' ' 55' ' ' THR . 16.7 t70 -73.39 156.5 38.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.62 -20.48 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' OD1' ' A' ' 53' ' ' ASP . 10.4 t -79.64 -9.82 59.69 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.491 0.186 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.4 18.11 37.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.515 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -104.03 132.33 50.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.02 100.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -105.3 142.71 34.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.923 0.392 . . . . 0.0 110.016 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -94.88 126.37 40.16 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CE2' HG12 ' A' ' 20' ' ' ILE . 64.0 m-85 -132.97 173.45 11.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.195 0.522 . . . . 0.0 111.356 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 53.4 tttp -120.96 159.36 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.307 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.739 ' HG2' ' HE1' ' A' ' 49' ' ' TYR . 38.0 mt-10 -51.11 -30.36 16.04 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.815 0.34 . . . . 0.0 111.641 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.09 -29.79 61.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.673 ' HG2' ' HB2' ' A' ' 23' ' ' ASN . 6.5 mt-10 -127.69 29.59 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -130.85 136.33 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.5 m -138.72 127.41 14.08 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.38 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.522 ' HA ' HG12 ' A' ' 18' ' ' VAL . 18.8 Cg_endo -60.25 145.83 97.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.909 2.406 . . . . 0.0 112.783 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 19' ' ' GLU . 97.2 mt -81.01 68.62 7.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -172.5 141.68 1.18 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.03 0.532 . . . . 0.0 110.422 174.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.69 59.14 4.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.837 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.54 -135.12 38.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.921 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.55 19.11 18.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.543 0.211 . . . . 0.0 111.055 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.41 38.96 0.25 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.965 0.412 . . . . 0.0 111.833 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.2 -45.05 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.078 0.466 . . . . 0.0 110.282 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -88.69 85.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt -92.76 91.83 7.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.666 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -141.93 109.8 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.736 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -65.46 124.02 21.18 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -59.17 139.66 56.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.861 -171.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -83.75 26.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.659 -171.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -84.7 71.46 10.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.067 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -170.91 110.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.34 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.425 176.149 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.839 0.352 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.89 121.5 2.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.576 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.76 108.56 3.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.267 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -125.29 78.47 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.422 0.63 . . . . 0.0 110.953 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -91.78 -173.08 0.47 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.3 tp -135.29 83.94 36.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.242 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.57 139.86 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.041 2.494 . . . . 0.0 111.522 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -119.57 -72.62 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.854 0.359 . . . . 0.0 111.46 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 10' ' ' TRP . 77.3 m-85 -106.25 -14.74 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -169.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.468 ' HD1' ' CG ' ' A' ' 41' ' ' HIS . 19.9 m95 62.66 -155.96 0.34 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -172.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.417 ' H ' ' HB3' ' A' ' 10' ' ' TRP . 53.5 m -98.05 -18.25 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.956 0.407 . . . . 0.0 110.405 176.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.504 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.3 m-85 -127.58 134.25 25.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.692 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.5 Cg_exo -71.34 174.29 11.04 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.989 2.46 . . . . 0.0 112.863 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.19 143.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.458 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.54 10.58 70.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.068 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.0 tp -89.96 123.71 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.668 0.27 . . . . 0.0 110.602 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -82.09 130.04 34.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.946 176.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 68' ' ' PRO . 21.0 m -135.3 153.66 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.26 0.552 . . . . 0.0 112.297 -173.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.6 mm-40 -96.1 120.24 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.605 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.564 HD11 HG11 ' A' ' 51' ' ' VAL . 3.4 mp -81.67 130.14 36.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.714 0.293 . . . . 0.0 110.374 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 2.5 p-10 -126.48 25.98 6.42 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.689 ' HA ' ' HG2' ' A' ' 65' ' ' GLU . 27.7 t-20 -62.86 80.78 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.067 -1.424 . . . . 0.0 108.973 174.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 23.7 t-20 85.8 35.12 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.352 -1.749 . . . . 0.0 109.054 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.858 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . . . -62.47 99.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.52 170.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.73 ' H ' ' HA ' ' A' ' 29' ' ' PRO . 16.4 mmm180 -80.52 78.75 7.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.683 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 61.27 -89.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.855 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.93 15.5 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.628 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 11.6 p -168.71 92.29 0.6 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 109.732 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.858 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 6.8 Cg_exo -73.86 -172.21 1.05 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.662 2.241 . . . . 0.0 112.19 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -74.05 58.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.729 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.8 m80 64.71 21.75 12.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.709 0.766 . . . . 0.0 110.318 -174.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.798 HG12 ' H ' ' A' ' 33' ' ' GLY . 2.3 t -97.81 -159.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.647 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.798 ' H ' HG12 ' A' ' 32' ' ' VAL . . . 82.63 46.88 6.19 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -175.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -102.86 151.85 21.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.796 -0.702 . . . . 0.0 110.047 -176.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 31.9 mttp -102.36 119.91 39.61 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 172.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.17 -173.67 14.32 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.04 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -134.77 135.13 41.63 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.597 0.237 . . . . 0.0 110.435 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.2 mt -72.79 111.37 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.752 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 pt -106.4 -13.87 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.917 0.389 . . . . 0.0 111.371 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.0 mm-40 -148.91 141.34 24.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CG ' ' HD1' ' A' ' 10' ' ' TRP . 58.6 m170 -95.1 128.73 42.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -94.6 179.0 5.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -139.57 33.01 2.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.419 0.628 . . . . 0.0 109.493 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.1 t -96.94 164.29 12.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.07 -14.73 33.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.011 0.434 . . . . 0.0 109.972 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -94.8 -37.89 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -134.12 140.76 46.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.04 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -104.24 -28.83 11.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 0.0 111.189 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.543 ' HE2' ' CB ' ' A' ' 63' ' ' GLU . 49.1 m-85 -136.03 162.64 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 111.404 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -115.96 119.91 37.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 173.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 HD11 ' A' ' 20' ' ' ILE . 87.2 t -116.02 130.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -173.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m -94.78 112.32 24.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.11 173.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.23 173.28 11.56 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.648 -175.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.1 mt-10 -55.72 -38.03 69.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.068 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -70.45 -5.37 28.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.243 0.544 . . . . 0.0 110.162 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.72 8.15 83.22 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.551 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.51 139.44 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.567 0.223 . . . . 0.0 110.421 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.19 101.51 12.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.451 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.2 m -114.09 143.6 44.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.075 -176.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -93.94 137.78 32.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 78.6 m-85 -139.81 171.44 14.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 23.2 mttm -103.96 162.88 12.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.052 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.543 ' CB ' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.85 -14.73 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.349 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.27 -23.93 37.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.551 -175.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 22' ' ' ASN . 5.0 mp0 -113.39 19.47 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.625 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 85.7 mt -114.71 118.86 34.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.852 0.358 . . . . 0.0 111.002 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -115.05 119.78 38.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.365 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 18' ' ' VAL . 42.2 Cg_exo -56.82 136.43 76.38 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.754 2.303 . . . . 0.0 112.082 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' HB1' ' A' ' 17' ' ' ALA . 61.5 mt -70.43 98.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.039 0.447 . . . . 0.0 111.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -130.45 125.96 35.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.368 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.3 37.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.015 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.13 -81.72 1.17 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.305 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.4 tp 178.04 -73.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.42 10.75 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.896 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -116.0 90.6 3.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.603 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.78 6.84 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.881 0.848 . . . . 0.0 109.413 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 77' ' ' LEU . 5.4 mp -86.04 -37.29 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.094 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.905 ' HG2' ' H ' ' A' ' 79' ' ' HIS . 0.7 OUTLIER -101.31 -80.44 0.49 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.409 -175.692 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.905 ' H ' ' HG2' ' A' ' 78' ' ' GLU . 35.7 t-80 53.83 -96.77 0.06 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.977 0.511 . . . . 0.0 110.502 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.11 155.91 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -121.69 171.08 9.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -69.92 -36.86 75.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.702 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -114.48 -175.01 2.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.834 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.6 p80 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.585 175.688 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.9 127.35 53.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . 90.58 5.96 68.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.209 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -110.54 92.94 15.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.107 0.454 . . . . 0.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' A' ' 6' ' ' LEU . 74.1 Cg_endo -95.77 25.63 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.482 2.788 . . . . 0.0 112.224 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' A' ' 5' ' ' PRO . 6.9 mp -82.8 136.0 45.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.766 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -70.81 105.48 1.66 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.588 2.192 . . . . 0.0 112.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -115.97 -70.74 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.298 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.8 90.04 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.046 0.841 . . . . 0.0 112.383 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 65.87 116.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.265 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -88.48 -25.48 22.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.66 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -103.22 138.45 19.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' HD22 ' A' ' 16' ' ' LEU . 87.1 Cg_endo -83.57 177.55 6.24 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.957 2.438 . . . . 0.0 112.845 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG23 ' CE1' ' A' ' 41' ' ' HIS . 89.4 t -87.8 139.18 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.5 35.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' HD2' ' A' ' 13' ' ' PRO . 56.1 tp -107.86 127.77 54.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.495 0.188 . . . . 0.0 110.626 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.68 124.03 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 0.0 110.338 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 29.4 m -125.59 161.12 30.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.376 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 49.1 mt-10 -102.92 146.92 27.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -80.52 119.42 30.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.806 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -87.37 -176.78 5.76 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.031 0.444 . . . . 0.0 110.837 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -83.25 28.0 0.55 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.234 0.54 . . . . 0.0 112.252 -170.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -96.12 -25.38 15.89 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.63 26.48 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.138 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -69.53 -19.84 63.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.279 0.562 . . . . 0.0 110.497 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.13 153.11 23.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.708 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.69 -48.73 3.76 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.385 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 p -142.8 94.64 6.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.49 163.18 27.24 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.411 2.074 . . . . 0.0 111.537 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 64.15 24.17 13.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.818 0.818 . . . . 0.0 109.457 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 20.9 t-80 -128.88 4.86 5.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.473 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.24 142.54 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.68 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.93 14.29 81.81 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HD3' ' CD2' ' A' ' 31' ' ' HIS . 20.3 ttt180 -89.51 164.25 14.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.232 -0.484 . . . . 0.0 109.801 -175.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -115.74 120.51 39.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.9 150.5 19.37 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.684 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -112.0 129.77 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.914 0.387 . . . . 0.0 110.455 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 51' ' ' VAL . 59.4 mt -74.65 123.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.477 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.9 pt -119.96 -6.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.621 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.8 tp10 -150.25 133.72 16.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' CE1' HG23 ' A' ' 14' ' ' VAL . 19.2 m170 -89.06 107.6 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.88 172.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.35 125.04 33.36 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.192 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -85.83 60.85 6.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.617 0.722 . . . . 0.0 110.299 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -128.73 153.55 47.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.872 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.91 -29.79 35.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.053 0.454 . . . . 0.0 109.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 p -73.18 -45.14 58.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.712 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.25 131.82 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.833 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 4.9 m-20 -101.69 -15.0 17.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.834 0.349 . . . . 0.0 111.259 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -136.83 144.49 43.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.044 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.77 107.85 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 169.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 38' ' ' ILE . 46.2 t -104.59 115.88 47.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.741 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 28.5 m -90.64 110.39 21.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.323 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.58 161.58 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.142 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -21.33 64.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 111.488 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -81.5 -9.95 59.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.761 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.19 13.32 33.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.641 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 7.7 m-20 -86.34 120.27 27.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.0 mt -86.56 100.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.861 0.363 . . . . 0.0 110.314 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 m -112.76 138.61 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.204 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.46 134.6 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -141.05 170.9 14.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.275 0.559 . . . . 0.0 111.681 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 54.1 tttp -115.53 170.63 8.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -63.89 -17.31 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.019 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -81.05 -28.67 35.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.965 0.412 . . . . 0.0 110.951 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -93.28 4.84 53.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.544 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 18' ' ' VAL . 87.5 mt -121.49 122.4 39.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 111.765 -174.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.5 m -117.59 109.08 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.501 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 43.5 Cg_endo -66.81 149.62 83.4 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.988 2.458 . . . . 0.0 114.712 -169.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 19' ' ' GLU . 29.8 mt -83.26 109.19 17.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.494 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -95.89 106.1 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.961 0.41 . . . . 0.0 110.448 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.15 -15.55 47.66 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.058 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.86 177.75 17.3 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.997 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -86.21 -56.36 3.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.238 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.66 87.98 7.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.116 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.47 -16.9 25.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.249 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -92.69 92.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.999 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.22 -0.94 47.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.74 -44.52 73.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.857 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -66.07 -48.88 69.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.058 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -108.24 82.79 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -122.58 -49.31 2.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.024 174.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 179.78 -174.81 0.26 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -153.98 116.69 4.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.698 -0.667 . . . . 0.0 109.808 178.56 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.599 0.237 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.19 -37.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 111.325 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.5 -93.29 0.51 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -154.44 118.48 2.6 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.214 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -98.02 16.22 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.431 2.754 . . . . 0.0 112.179 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.63 146.17 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.889 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -57.82 133.69 57.77 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.973 2.449 . . . . 0.0 112.203 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -86.04 44.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.695 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.37 -152.38 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.786 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -85.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 110.567 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.506 ' HB2' ' OH ' ' A' ' 49' ' ' TYR . 68.3 m -165.34 -38.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 22.0 m-85 -118.28 132.33 23.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.428 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.0 Cg_endo -81.4 165.9 18.33 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.89 2.394 . . . . 0.0 112.887 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG13 ' HA ' ' A' ' 39' ' ' ILE . 65.5 t -73.16 138.18 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.294 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 -7.12 55.61 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.67 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.18 119.77 22.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.24 123.64 29.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.5 m -130.77 145.47 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.043 -176.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HG2' ' HG3' ' A' ' 35' ' ' LYS . 39.4 mt-10 -94.34 130.47 40.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp -65.46 120.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.58 . . . . 0.0 110.078 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -75.05 151.29 38.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.017 -174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -76.76 59.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 110.558 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 19.8 m120 -122.52 -25.2 4.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.541 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -2.24 20.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.042 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -57.96 -28.72 64.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -105.44 83.75 2.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.598 0.713 . . . . 0.0 109.685 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.38 -59.68 0.38 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.182 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.69 83.94 10.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.48 35.55 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.446 2.764 . . . . 0.0 113.458 -171.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -125.46 19.71 8.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.023 0.916 . . . . 0.0 109.738 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -148.37 90.16 1.78 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.289 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.12 111.81 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.42 84.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.984 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -87.16 155.04 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.58 ' HG3' ' HG2' ' A' ' 19' ' ' GLU . 2.2 mptp? -99.75 116.34 31.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.11 -171.79 14.03 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.107 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -143.18 133.08 24.07 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -73.66 120.59 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.082 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HA ' HG13 ' A' ' 14' ' ' VAL . 25.7 pt -116.86 -7.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.7 tp10 -156.16 149.03 24.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.432 ' NE2' HG23 ' A' ' 14' ' ' VAL . 89.3 m-70 -99.1 111.78 24.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.34 117.2 24.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -86.17 79.03 9.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.169 172.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 35.5 t -129.1 -175.0 3.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.579 -175.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.05 -0.13 11.17 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 m -118.48 -46.75 2.57 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.381 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 44' ' ' SER . 48.7 m-85 -117.67 150.43 39.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.642 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.538 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.6 m-20 -112.45 -30.65 7.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.506 ' OH ' ' HB2' ' A' ' 11' ' ' SER . 54.4 m-85 -137.38 146.58 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.41 . . . . 0.0 111.764 -173.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -99.73 114.04 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.46 126.62 69.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p -98.94 115.04 27.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 168.51 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 111.429 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.41 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.4 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -6.33 44.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.97 15.31 70.27 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.736 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -101.04 123.53 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.35 121.35 40.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.02 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 7.2 m -130.13 147.5 51.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.168 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.07 128.26 36.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 84.4 m-85 -130.33 170.68 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.237 0.541 . . . . 0.0 110.531 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.599 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 55.7 tttp -111.71 164.83 12.6 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.74 -30.93 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -72.92 -22.93 60.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.888 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 6.7 mp0 -98.43 25.39 6.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.291 -173.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.5 mt -135.42 156.24 49.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 111.397 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 90.9 m -142.89 105.05 5.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.428 172.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HA ' HG12 ' A' ' 18' ' ' VAL . 17.0 Cg_exo -66.89 149.75 83.12 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.222 2.615 . . . . 0.0 113.545 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' A' ' 19' ' ' GLU . 64.7 mt -85.64 78.89 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.099 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -105.5 106.54 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.682 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.37 -30.96 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.62 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.24 -167.77 30.54 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.8 mm? -90.25 70.61 7.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 110.559 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.17 -41.52 10.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.5 t80 68.62 11.24 8.28 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.65 89.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.5 mt 68.25 137.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.784 0.802 . . . . 0.0 112.519 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' H ' ' A' ' 82' ' ' HIS . 1.4 pm0 -76.48 95.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.86 175.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -69.25 127.19 32.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.872 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.4 p80 41.0 47.68 2.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 124.324 1.015 . . . . 0.0 112.438 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 68.24 108.28 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.491 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.541 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 81.5 t60 -168.11 96.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.503 169.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 12.2 t60 -103.13 118.89 37.81 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 83' ' ' HIS . 42.8 t-80 . . . . . 0 C--O 1.245 0.847 0 O-C-N 123.729 0.643 . . . . 0.0 110.409 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.752 0.31 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 40.7 m-85 -97.21 133.94 23.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' HD22 ' A' ' 16' ' ' LEU . 93.7 Cg_endo -84.79 173.87 7.95 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.174 2.583 . . . . 0.0 113.15 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -78.26 135.71 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.339 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.53 -0.32 58.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.258 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.5 tp -80.27 129.79 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 0.0 110.589 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.26 127.98 33.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.024 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.2 m -134.32 166.59 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.215 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.6 pt-20 -119.26 148.43 43.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 173.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.464 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 . . . . . 0 CA--C 1.521 -0.14 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 9.8 mtmp? -120.23 159.22 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.31 -178.95 29.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.115 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -129.54 125.39 36.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 49' ' ' TYR . 67.3 mt -73.92 112.56 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.4 pt -110.35 -24.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 49.0 mm-40 -137.36 159.56 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.489 ' HD2' ' HD1' ' A' ' 49' ' ' TYR . 20.8 m170 -109.38 135.07 51.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.841 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.57 151.15 38.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.904 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -112.28 101.82 10.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 29.7 t -164.85 137.43 4.57 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.76 -175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.21 -12.67 60.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.83 -37.02 13.19 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.021 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HB3' ' A' ' 44' ' ' SER . 63.7 m-85 -146.02 129.46 16.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.56 -173.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.751 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 16.9 m-20 -102.26 -24.51 13.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.078 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 63' ' ' GLU . 29.2 m-85 -134.09 158.59 43.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 111.597 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -110.55 113.89 26.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 171.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HB ' ' HD2' ' A' ' 61' ' ' PHE . 67.4 t -109.81 125.59 66.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -172.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -87.28 109.91 19.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.539 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.59 150.35 47.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.94 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.62 -21.46 62.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.1 p -77.56 -9.05 58.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 111.358 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.85 14.62 36.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.613 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -104.51 117.94 35.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -83.92 118.22 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.923 0.392 . . . . 0.0 110.259 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.3 m -124.06 162.09 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.962 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.74 134.86 47.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 74.7 m-85 -137.98 163.68 30.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 111.322 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 6.4 ttpm? -114.22 161.5 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 45.5 mt-10 -53.39 -30.65 41.06 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -75.15 -21.48 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.536 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mp0 -95.11 -2.31 50.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 18' ' ' VAL . 91.2 mt -122.27 150.03 42.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 112.118 -174.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -129.89 121.52 19.95 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.541 175.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 26.5 Cg_endo -62.71 143.01 91.46 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.53 2.153 . . . . 0.0 113.139 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.431 HD12 ' HB1' ' A' ' 17' ' ' ALA . 95.6 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.135 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 3.0 m . . . . . 0 C--O 1.237 0.44 0 CA-C-O 121.193 0.521 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 63' ' ' GLU . 50.4 m-85 -99.09 128.16 32.85 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD2' HD22 ' A' ' 16' ' ' LEU . 96.5 Cg_endo -78.18 175.51 11.04 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.913 2.409 . . . . 0.0 112.83 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 139.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.708 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 37' ' ' LYS . . . 94.42 -0.03 65.46 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.824 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -85.73 128.87 34.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.781 0.324 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 129.49 35.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.792 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.8 m -136.08 155.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.984 0.421 . . . . 0.0 110.516 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.507 ' HG3' HD21 ' A' ' 69' ' ' LEU . 33.4 mt-10 -112.73 122.95 49.18 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' A' ' 61' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.314 -0.966 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.706 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.7 mtm180 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -91.27 120.48 32.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.09 165.25 24.05 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.276 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 15.9 tppt? -114.04 122.01 45.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.257 -0.472 . . . . 0.0 110.178 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 51' ' ' VAL . 69.1 mt -70.65 115.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' HB2' ' A' ' 52' ' ' SER . 33.3 pt -118.0 -14.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -170.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 38.4 tt0 -156.28 142.09 17.93 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.669 -175.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -96.29 138.83 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.024 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.22 164.15 14.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -122.27 25.61 8.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.322 0.582 . . . . 0.0 109.777 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -77.4 165.25 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.095 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.03 -18.66 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.124 0.488 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 p -86.74 -44.57 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.174 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.443 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 45.2 m-85 -143.28 138.0 29.26 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 1.8 m-20 -102.08 -12.63 17.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.173 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.703 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 64.7 m-85 -130.98 152.66 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.316 . . . . 0.0 111.365 -174.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -117.12 109.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 20' ' ' ILE . 58.9 t -107.69 127.58 63.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -174.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.459 ' HB2' HD13 ' A' ' 39' ' ' ILE . 23.2 t -90.1 109.96 20.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.52 169.11 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.512 . . . . 0.0 111.504 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.53 -11.75 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.514 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -76.8 -22.67 53.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.03 -8.09 55.44 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.854 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.54 153.3 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.62 118.9 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.655 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.4 m -116.46 139.86 49.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -91.47 135.22 34.0 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 80.8 m-85 -140.08 167.8 21.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.146 0.498 . . . . 0.0 111.126 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 38.6 mttm -104.99 154.32 20.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.703 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.9 pt-20 -62.32 -17.98 60.18 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.646 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -55.39 -34.53 64.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -113.89 28.25 8.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.478 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.38 118.67 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.7 m -99.4 119.39 60.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 18' ' ' VAL . 60.4 Cg_endo -72.45 139.2 31.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.409 2.072 . . . . 0.0 112.624 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 19' ' ' GLU . 96.6 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.988 175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.424 0.154 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 85.4 m-85 -70.11 117.03 50.36 Favored Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HD2' HD22 ' A' ' 16' ' ' LEU . 82.0 Cg_endo -80.31 156.11 22.32 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.493 2.129 . . . . 0.0 112.898 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.0 130.82 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.749 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.12 2.19 51.5 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.748 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.5 tp -88.94 136.16 33.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.21 131.52 34.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.136 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 68' ' ' PRO . 34.9 m -138.9 170.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 35' ' ' LYS . 9.7 pt-20 -141.5 158.6 43.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.988 0.423 . . . . 0.0 110.156 170.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 3.8 mp . . . . . 0 C--N 1.318 -0.799 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.391 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.628 ' HG2' ' HB3' ' A' ' 19' ' ' GLU . 53.7 mttp -102.74 151.66 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 -174.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.64 178.28 36.71 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.757 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -129.67 129.66 44.55 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 51' ' ' VAL . 67.3 mt -66.42 128.99 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.291 -178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' SER . 26.1 pt -115.92 -13.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 161.24 24.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.199 0.523 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -98.08 125.46 43.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.88 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' TYR . 52.7 mt -83.24 143.93 30.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.299 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -96.13 18.03 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.783 0.801 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 21.7 m -98.71 154.68 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.944 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.21 -25.06 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -40.76 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . 94.3 m-85 -137.21 125.9 23.86 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -9.51 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.638 ' CE1' ' HB2' ' A' ' 12' ' ' TYR . 79.5 m-85 -136.78 144.02 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.984 -177.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.96 111.08 23.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.352 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 38' ' ' ILE . 53.1 t -103.57 127.04 57.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.608 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 9.6 t -95.63 107.37 19.56 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.0 m-20 -59.28 158.2 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.849 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.92 -24.95 56.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.641 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -84.2 -2.56 57.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.976 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.27 15.65 43.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.298 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 2.7 m-20 -83.66 167.38 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.621 0.248 . . . . 0.0 110.528 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.0 mt -132.32 94.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -116.83 141.52 48.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CD1' HD11 ' A' ' 42' ' ' LEU . 24.9 m-85 -96.23 134.65 39.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.157 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.434 ' CZ ' HG12 ' A' ' 20' ' ' ILE . 50.8 m-85 -141.41 173.91 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.001 0.429 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HG2' ' OE1' ' A' ' 63' ' ' GLU . 54.0 tttp -113.22 159.52 19.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -51.23 -33.25 27.1 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -177.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -74.11 -27.2 60.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -94.78 2.28 55.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.87 0.366 . . . . 0.0 111.009 -174.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.07 128.8 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.526 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 m -110.59 117.0 51.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.064 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.535 ' HA ' HG12 ' A' ' 18' ' ' VAL . 37.3 Cg_endo -66.85 137.0 43.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.907 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.497 179.27 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.518 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 13.9 p . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.045 0.45 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.8 m-85 -97.12 132.11 26.3 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.202 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.8 Cg_exo -75.47 164.36 32.64 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.984 2.456 . . . . 0.0 113.189 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 41' ' ' HIS . 69.4 t -83.61 143.09 12.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.857 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.8 3.45 60.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.942 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -107.05 141.73 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.49 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.0 m -135.38 148.7 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.226 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -109.62 144.3 38.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.02 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 7.7 ttpm? -126.22 129.9 49.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -136.24 -166.42 10.9 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.22 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.02 134.6 30.07 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.88 119.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 52' ' ' SER . 37.6 pt -114.42 -12.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.57 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.5 tp10 -154.94 149.92 26.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.275 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 14' ' ' VAL . 23.4 m170 -103.87 108.46 19.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.788 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.37 124.39 28.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -84.99 80.71 9.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.607 0.718 . . . . 0.0 110.129 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -146.98 177.15 9.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.437 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.5 -9.25 12.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -95.54 -45.59 7.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.252 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.3 122.07 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.495 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -109.62 -11.24 14.79 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -171.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' HH ' ' N ' ' A' ' 11' ' ' SER . 90.0 m-85 -128.27 137.87 52.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.142 0.496 . . . . 0.0 111.954 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.02 107.47 18.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.8 t -101.32 122.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.26 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 39' ' ' ILE . 27.6 t -89.56 103.65 16.28 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.41 161.52 22.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 15.1 pt-20 -73.97 -7.94 54.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.982 0.42 . . . . 0.0 110.545 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.3 p -75.63 -20.77 58.28 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.225 0.535 . . . . 0.0 109.913 169.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.36 -3.05 40.02 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.287 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -88.06 146.36 25.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -104.63 103.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.1 m -114.97 144.5 43.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.03 0.443 . . . . 0.0 110.586 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.62 132.0 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.94 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.14 178.01 7.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.322 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 57.2 tttp -123.26 161.98 23.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.124 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 29.4 tt0 -48.86 -35.48 14.77 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -65.51 -44.93 85.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.2 pm0 -91.69 1.9 56.84 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -174.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.72 134.14 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.921 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.7 m -121.77 116.85 30.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.92 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.531 ' HA ' HG12 ' A' ' 18' ' ' VAL . 59.1 Cg_endo -71.78 141.77 38.06 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.81 2.34 . . . . 0.0 112.728 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.683 178.081 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -116.81 129.78 25.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HD2' HD22 ' A' ' 16' ' ' LEU . 72.9 Cg_endo -76.4 173.61 14.2 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.158 2.572 . . . . 0.0 113.966 -173.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -87.71 138.76 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.841 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.14 -5.47 68.35 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.963 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 68' ' ' PRO . 62.5 tp -74.6 130.66 39.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.652 0.263 . . . . 0.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 119.68 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.057 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.3 m -126.41 146.21 32.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.009 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' OE2' ' HB ' ' A' ' 67' ' ' THR . 0.7 OUTLIER -102.13 145.97 28.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.9 mm . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.41 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 . . . . . 0 N--CA 1.456 -0.15 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -97.72 123.46 41.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.87 175.6 19.95 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.597 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -128.18 125.6 39.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.82 122.87 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.889 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 52' ' ' SER . 35.7 pt -118.13 -5.68 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.8 tp10 -160.73 157.88 27.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -113.14 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.587 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.22 127.53 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.731 0.301 . . . . 0.0 110.952 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -82.99 81.67 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.015 0.912 . . . . 0.0 109.545 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -154.9 178.66 9.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.08 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.74 -0.13 10.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -96.63 -38.51 9.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.9 137.19 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -95.51 -40.14 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.05 0.453 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 55.7 m-85 -131.07 154.59 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.062 0.458 . . . . 0.0 111.947 -170.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -112.64 115.42 28.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -108.04 136.01 44.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.506 ' HB2' HD13 ' A' ' 39' ' ' ILE . 15.1 t -99.3 104.24 16.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.4 m-20 -70.51 165.94 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.769 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.11 -22.55 66.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.391 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -83.03 -5.65 59.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.86 14.17 55.44 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 1.5 m-20 -81.16 142.45 33.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.683 0.278 . . . . 0.0 110.589 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.67 88.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 167.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -105.66 141.71 36.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.378 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.77 127.67 47.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -134.02 175.77 9.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 62' ' ' LYS . 12.8 mtpp -103.85 173.67 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.624 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.632 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 10.2 pt-20 -49.36 -42.41 41.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.698 -1.137 . . . . 0.0 113.623 -177.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.632 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 94.9 m-70 -94.76 1.71 55.46 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -172.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -93.34 -0.62 56.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.8 mt -125.89 126.93 45.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.611 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.489 ' HB ' ' OE2' ' A' ' 19' ' ' GLU . 93.9 m -109.89 116.88 53.22 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.25 175.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -65.12 129.67 23.59 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 0.0 112.595 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.034 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.939 0.4 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 82.9 m-85 -108.73 101.27 43.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.834 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.57 159.91 50.39 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.105 2.537 . . . . 0.0 112.829 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.3 133.87 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.95 -9.88 51.48 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.1 132.73 39.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 110.316 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.69 124.5 30.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.5 m -136.69 154.26 31.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.376 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.97 156.75 20.06 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.213 -179.062 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.602 0.239 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 65.1 mmtt -118.81 140.54 49.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.95 -174.65 26.02 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.417 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -138.53 133.62 32.84 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' VAL . 69.6 mt -72.62 121.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.187 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 pt -110.43 -21.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.689 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.0 mm-40 -146.56 148.44 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 111.489 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -101.74 126.09 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.42 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 48' ' ' ASP . 91.0 mt -93.95 -170.79 2.4 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.81 42.39 2.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.558 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 40.7 t -114.55 160.25 19.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.24 -172.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.57 -9.67 20.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.316 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 p -94.27 -51.37 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.205 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 44' ' ' SER . 95.0 m-85 -143.94 121.21 11.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 42' ' ' LEU . 21.8 t70 -117.35 3.02 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.145 0.498 . . . . 0.0 112.158 -166.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.557 ' HE1' ' HB3' ' A' ' 63' ' ' GLU . 93.3 m-85 -130.27 143.85 51.02 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.153 -0.342 . . . . 0.0 110.307 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -108.66 114.86 29.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.483 HG22 HG12 ' A' ' 38' ' ' ILE . 66.7 t -115.4 127.91 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -91.53 111.84 23.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.724 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.7 156.38 39.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 49.6 mt-10 -66.59 -10.16 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 p -78.86 -5.81 54.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.159 0.504 . . . . 0.0 110.194 172.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.97 61.95 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.543 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.84 137.05 37.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -98.15 104.95 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.855 0.36 . . . . 0.0 110.158 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -114.07 148.72 36.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.879 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' HD11 ' A' ' 42' ' ' LEU . 47.1 m-85 -97.49 129.98 44.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.44 171.24 12.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.171 0.51 . . . . 0.0 110.978 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -104.16 162.6 13.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.216 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 49' ' ' TYR . 10.5 pt-20 -59.66 -33.33 71.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -90.36 -12.37 37.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.653 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.89 10.82 14.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.533 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.17 152.13 51.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.581 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.1 m -130.98 120.55 18.42 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 18' ' ' VAL . 51.4 Cg_endo -69.0 137.86 38.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.106 2.537 . . . . 0.0 112.805 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.089 -175.903 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.89 124.96 38.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.64 0.257 . . . . 0.0 110.425 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.2 Cg_endo -79.6 172.62 14.11 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.081 2.521 . . . . 0.0 113.293 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 41' ' ' HIS . 75.1 t -78.46 141.05 15.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.601 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.6 5.37 61.6 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.739 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 ' HD2' ' A' ' 13' ' ' PRO . 43.3 tp -94.55 131.32 40.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -88.46 126.11 35.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.2 m -132.63 154.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.478 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' A' ' 69' ' ' LEU . 17.0 pt-20 -105.64 142.45 35.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.057 0.456 . . . . 0.0 109.883 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 20' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.51 135.06 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 53' ' ' ASP . . . -143.53 -179.53 20.2 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.699 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -125.57 132.6 52.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.658 0.266 . . . . 0.0 110.452 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.9 mt -70.2 115.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.858 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 pt -106.26 -25.17 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.412 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 10.3 mm-40 -136.34 151.34 49.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.286 -176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' HG23 ' A' ' 14' ' ' VAL . 15.9 m170 -107.12 126.41 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -101.69 34.32 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.875 0.845 . . . . 0.0 109.046 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -81.49 175.85 10.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.778 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.8 -0.3 15.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 m -107.09 -36.77 6.49 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.625 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -138.31 141.33 39.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.725 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.34 -41.02 13.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.794 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.632 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 23.2 m-85 -134.67 163.1 30.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.376 0.608 . . . . 0.0 112.291 -168.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -114.57 116.38 28.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.217 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.11 124.27 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.336 -173.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 t -100.69 111.18 23.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.563 ' HA ' ' HA2' ' A' ' 36' ' ' GLY . 0.8 OUTLIER -78.73 173.11 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.185 0.517 . . . . 0.0 112.169 -173.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.22 -29.12 65.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.557 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 -6.01 59.34 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.83 -7.92 57.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.995 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.45 137.56 32.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.359 0.6 . . . . 0.0 111.243 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.11 132.85 52.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.859 -174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.3 m -136.21 144.66 45.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.272 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CD1' HD11 ' A' ' 42' ' ' LEU . 33.7 m-85 -87.19 136.93 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -140.02 174.7 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 111.288 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -110.84 165.61 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.443 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.632 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -76.02 5.77 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.112 0.482 . . . . 0.0 111.506 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -95.64 -17.96 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.187 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -110.47 -7.39 14.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.934 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 18' ' ' VAL . 91.7 mt -105.9 130.03 53.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 111.905 -173.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 m -110.05 119.49 47.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.721 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 18' ' ' VAL . 20.0 Cg_endo -61.0 134.91 55.75 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.537 2.158 . . . . 0.0 112.026 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 19' ' ' GLU . 87.0 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 110.753 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 31.2 m-85 -100.18 130.71 25.45 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.645 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 4.0 Cg_exo -75.32 161.62 37.54 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.977 2.451 . . . . 0.0 112.459 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.5 139.58 19.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.794 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.03 -12.79 60.62 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.985 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.46 121.35 21.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.84 0.352 . . . . 0.0 110.604 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.31 123.59 27.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.084 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.0 m -134.16 153.78 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.961 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.48 139.4 37.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.096 0.474 . . . . 0.0 110.291 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.566 HD11 HG11 ' A' ' 51' ' ' VAL . 2.1 mp . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.916 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.83 119.29 25.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 170.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.35 -175.95 14.13 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.026 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -129.1 131.81 47.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.646 0.26 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 49' ' ' TYR . 74.3 mt -70.81 115.06 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.763 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.98 -16.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.744 0.307 . . . . 0.0 111.387 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 mm-40 -143.0 134.46 26.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -89.36 95.95 10.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.089 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.53 128.39 35.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -102.05 85.16 2.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.896 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -151.58 -176.4 5.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.758 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.81 -9.29 14.82 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.78 -42.53 9.08 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.411 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -141.3 139.44 33.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.604 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 m-20 -108.43 -14.68 14.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 71.8 m-85 -140.62 143.67 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 111.535 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -109.83 116.42 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG11 HD11 ' A' ' 20' ' ' ILE . 48.4 t -111.1 132.38 59.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.259 -172.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.3 m -90.36 106.25 18.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.73 162.09 29.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 111.446 -173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.73 -14.87 16.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.55 173.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -70.26 -30.99 68.17 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.17 -12.68 16.75 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.046 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -95.3 171.54 8.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.798 0.333 . . . . 0.0 110.5 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 64.0 mt -117.56 117.57 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.58 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m -117.78 147.58 42.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.38 134.26 37.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 77.0 m-85 -142.8 176.34 9.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.239 0.542 . . . . 0.0 110.815 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 48' ' ' ASP . 31.0 mtpt -116.61 163.31 16.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.882 172.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.66 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 10.4 pt-20 -64.58 -7.8 11.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.997 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -62.58 -29.07 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.534 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -134.02 32.37 3.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 111.553 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -117.08 121.6 41.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.187 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.6 m -114.04 119.68 40.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 18' ' ' VAL . 21.4 Cg_exo -65.07 144.2 81.16 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.437 2.091 . . . . 0.0 111.573 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.898 179.274 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 121.049 0.452 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.8 m-85 -115.59 137.79 23.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.308 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.7 Cg_exo -74.5 176.13 10.12 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.886 2.39 . . . . 0.0 112.905 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.59 133.37 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.855 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.19 53.38 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.237 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.07 133.54 33.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.724 0.297 . . . . 0.0 110.398 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.96 132.04 34.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.302 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.7 m -140.39 147.24 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.392 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 36.6 mt-10 -102.99 144.03 31.8 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.1 mp . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.008 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 59.3 mttm -97.5 145.37 26.29 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.513 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.35 -171.75 25.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.084 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.92 140.55 25.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 49' ' ' TYR . 82.8 mt -76.32 114.46 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 pt -108.04 -12.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.612 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 8.5 tp10 -154.42 154.27 32.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 111.252 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -100.62 137.29 39.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.59 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.57 151.39 48.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 111.252 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -125.19 69.4 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.067 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 46' ' ' THR . 32.7 t -104.14 15.11 29.16 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -175.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.7 -42.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.521 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.497 ' H ' ' C ' ' A' ' 44' ' ' SER . 66.7 p -92.46 -33.05 14.66 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.271 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -127.36 140.51 52.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -106.99 -17.2 14.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.689 -176.344 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.895 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 78.2 m-85 -139.58 152.59 46.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.911 0.386 . . . . 0.0 111.761 -173.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -104.83 116.37 31.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.9 t -108.19 129.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.191 0.519 . . . . 0.0 111.695 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -94.42 117.18 29.73 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.084 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 57' ' ' ASP . 7.5 t70 -65.37 175.99 1.55 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.679 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HG2' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -91.84 -13.22 31.75 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -178.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -84.43 -23.13 30.13 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 112.417 -2.174 . . . . 0.0 110.202 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.5 11.83 26.22 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.065 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' ASP . 27.0 t70 -90.49 140.19 29.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -106.03 113.05 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -136.9 144.27 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.955 0.407 . . . . 0.0 110.745 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -84.73 138.31 32.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.691 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -137.26 171.81 13.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.619 . . . . 0.0 111.806 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 9.1 tmtm? -119.71 136.1 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.895 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -67.95 -5.26 16.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -168.359 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' H ' ' HD3' ' A' ' 62' ' ' LYS . 38.5 t-80 -79.45 -27.37 41.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -111.35 24.06 13.28 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.847 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 63' ' ' GLU . 78.4 mt -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.963 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.6 m -124.56 109.3 28.58 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.22 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HA ' HG12 ' A' ' 18' ' ' VAL . 31.8 Cg_endo -64.41 151.81 84.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.082 2.521 . . . . 0.0 113.299 -175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 19' ' ' GLU . 90.5 mt . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.662 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.869 0.366 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 33.3 m-85 -92.66 120.59 67.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.495 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.1 Cg_exo -72.08 165.31 32.99 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.064 2.509 . . . . 0.0 112.407 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.85 119.39 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.09 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.3 -6.15 19.19 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.133 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.9 tp -77.99 126.48 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.786 0.327 . . . . 0.0 110.347 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.46 120.26 25.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.548 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.2 m -130.97 142.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.3 pt-20 -102.15 162.18 13.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.194 0.521 . . . . 0.0 111.014 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.9 mp . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.444 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.661 ' HB3' ' OD1' ' A' ' 53' ' ' ASP . 23.5 mmm180 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 57.1 mttm -129.58 115.97 18.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.132 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 53' ' ' ASP . . . -126.26 -167.36 12.42 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.01 134.13 38.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.697 0.284 . . . . 0.0 110.239 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 51' ' ' VAL . 75.1 mt -76.81 119.46 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.51 -17.56 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 38.4 mt-10 -142.05 154.29 44.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.897 0.38 . . . . 0.0 111.169 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -109.02 126.57 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.538 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 134.82 44.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -91.63 84.42 5.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.749 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.1 t -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.916 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.62 -7.18 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.66 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 8.4 p -109.2 -31.91 7.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' SER . 28.9 m-85 -133.36 119.64 19.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.7 m-20 -96.84 -27.37 14.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.627 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 75.7 m-85 -134.64 153.3 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.224 0.535 . . . . 0.0 112.163 -171.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -107.74 112.51 25.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.025 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 38' ' ' ILE . 59.1 t -110.57 118.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -98.08 114.97 27.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.067 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 20.9 t70 -64.27 160.91 17.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.065 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.3 -24.9 61.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p -73.59 -15.59 61.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.036 0.446 . . . . 0.0 111.386 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.33 43.71 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.989 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.41 113.01 13.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.645 0.259 . . . . 0.0 110.704 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.83 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.879 0.371 . . . . 0.0 110.105 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.52 166.65 14.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.065 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.0 m-85 -122.04 130.52 53.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -143.18 -179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.071 0.462 . . . . 0.0 111.492 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' THR . 0.7 OUTLIER -105.05 159.11 16.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.538 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.744 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.87 -35.32 70.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -68.96 -29.66 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 0.0 111.539 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.77 10.22 39.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.32 125.51 49.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.8 m -114.76 114.97 44.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HA ' HG12 ' A' ' 18' ' ' VAL . 22.5 Cg_exo -64.11 140.76 73.34 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.619 2.212 . . . . 0.0 112.005 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.712 179.664 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 26.4 m . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.681 0.277 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.585 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 97.4 m-85 -96.49 107.23 34.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 11' ' ' SER . 12.1 Cg_exo -70.65 149.38 61.11 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.888 2.392 . . . . 0.0 112.174 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.35 113.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.036 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.87 -6.61 13.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.05 125.92 32.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.768 0.318 . . . . 0.0 110.46 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.83 130.82 36.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.877 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.7 m -133.47 160.37 42.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.1 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -112.81 148.03 35.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.803 0.335 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.849 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 81.6 tttt -105.58 134.53 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.494 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.49 174.24 22.37 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -129.7 135.68 48.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.869 0.334 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.692 HD13 HG22 ' A' ' 51' ' ' VAL . 44.1 mm -62.23 123.36 14.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 pt -117.66 -17.9 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.056 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -162.04 157.7 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.855 0.36 . . . . 0.0 110.689 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -101.88 129.6 48.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.734 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.47 158.72 16.16 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -119.75 81.06 1.67 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.679 0.752 . . . . 0.0 109.43 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.65 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 41.9 t -141.44 150.3 42.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.032 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -26.06 59.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.369 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -91.58 -43.37 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.246 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.661 ' CD1' ' HA ' ' A' ' 61' ' ' PHE . 37.9 m-85 -140.2 119.92 13.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.588 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.96 5.81 28.57 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.895 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.82 ' HE2' ' HG3' ' A' ' 63' ' ' GLU . 98.9 m-85 -136.36 145.66 45.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.24 0.543 . . . . 0.0 111.917 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.95 111.82 21.74 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.692 HG22 HD13 ' A' ' 38' ' ' ILE . 21.8 t -109.84 154.53 11.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.891 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 p -118.6 117.13 28.13 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.81 149.04 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.876 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 10.1 pt-20 -64.36 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.197 0.522 . . . . 0.0 110.451 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -81.1 -12.64 59.23 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.37 1.98 41.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.362 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.71 171.08 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.9 mt -118.15 126.78 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.481 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.776 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -106.39 92.3 4.07 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.933 -177.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.9 101.02 13.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.776 ' CE1' HG22 ' A' ' 59' ' ' THR . 85.6 m-85 -142.24 -176.11 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG2' ' OE2' ' A' ' 63' ' ' GLU . 2.5 tttm -114.05 -179.63 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.82 ' HG3' ' HE2' ' A' ' 49' ' ' TYR . 2.6 mp0 -49.67 -36.7 25.82 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.762 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -74.29 -26.32 60.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -93.62 -6.75 45.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.024 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 mt -116.78 146.42 42.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -173.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -137.32 124.05 13.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.177 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 51.0 Cg_endo -70.47 152.21 65.48 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.059 1.84 . . . . 0.0 112.261 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-O 121.222 0.534 . . . . 0.0 110.644 179.858 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.69 121.18 53.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD22 ' A' ' 16' ' ' LEU . 21.9 Cg_exo -65.83 167.11 18.34 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 123.303 2.669 . . . . 0.0 113.165 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.47 133.2 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.17 9.15 58.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.386 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.8 tp -82.19 120.92 25.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -75.7 122.3 23.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 68' ' ' PRO . 28.1 m -131.97 164.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.146 0.498 . . . . 0.0 111.045 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -123.28 149.92 44.17 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.5 mp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.704 ' HG2' HD21 ' A' ' 69' ' ' LEU . 3.1 mtmm -118.65 159.67 23.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.056 0.455 . . . . 0.0 111.503 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.5 -168.04 24.87 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.243 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -147.57 128.78 14.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.678 0.275 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.82 118.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.823 HG13 ' HG2' ' A' ' 40' ' ' GLU . 29.6 pt -113.5 -17.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.823 ' HG2' HG13 ' A' ' 39' ' ' ILE . 63.6 mm-40 -131.97 142.88 49.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.125 -174.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -99.27 97.47 8.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.78 111.93 16.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -79.82 77.41 6.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.04 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.4 t -137.51 172.27 13.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.719 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.91 17.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.398 0.618 . . . . 0.0 109.651 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -90.97 -56.55 3.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.748 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -117.18 142.49 46.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.756 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -102.83 -31.22 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.436 . . . . 0.0 110.582 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 58.2 m-85 -135.79 151.13 49.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 111.481 -174.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -111.87 116.89 31.39 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.93 130.81 47.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.691 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.47 ' HB2' HD13 ' A' ' 39' ' ' ILE . 29.8 t -89.41 100.51 13.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 4.9 m-20 -60.1 149.96 31.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.74 -27.56 65.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.074 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -81.72 0.68 37.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.722 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.18 -0.26 60.16 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 11.9 m-20 -81.22 169.24 17.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.561 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -134.22 104.85 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.2 m -112.37 137.86 49.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.397 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -89.98 131.49 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.092 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.62 -177.38 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.961 0.41 . . . . 0.0 110.771 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.632 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 31.8 tttp -122.59 168.18 12.48 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 49' ' ' TYR . 8.7 pt-20 -53.0 -35.31 59.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -173.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -100.21 9.85 42.14 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.887 -173.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.632 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 5.7 mp0 -101.89 -11.47 18.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.412 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.11 144.83 43.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.548 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -133.97 120.86 15.45 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.815 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' HG12 ' A' ' 18' ' ' VAL . 19.3 Cg_endo -58.64 148.42 82.24 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.777 2.318 . . . . 0.0 112.479 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 35' ' ' LYS . 85.3 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 110.6 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.413 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 7.2 p . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.076 0.465 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.5 m-85 -94.78 124.81 53.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.006 -175.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 16.0 Cg_exo -68.16 165.24 29.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.053 2.502 . . . . 0.0 112.543 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.71 138.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.266 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.2 55.01 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.15 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 68' ' ' PRO . 52.6 tp -88.63 128.89 35.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 0.0 110.537 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.21 130.28 35.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.404 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.524 HG21 HD13 ' A' ' 66' ' ' LEU . 20.1 m -136.29 144.53 32.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.494 -176.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -101.71 146.18 28.11 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.479 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 34' ' ' ARG . 30.8 mtp180 . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 9.7 mtmp? -103.0 141.6 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.107 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.18 -177.52 15.02 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.358 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 33.4 ttpt -136.63 121.61 18.87 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.98 122.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.014 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.57 -19.48 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 33.5 tt0 -149.09 139.09 22.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.924 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -88.84 117.26 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 50' ' ' ALA . 79.9 mt -85.34 135.55 33.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.586 -176.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -87.62 17.22 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.051 0.453 . . . . 0.0 110.457 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.3 t -84.67 174.05 10.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.118 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.68 -9.83 13.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.39 -39.46 12.66 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.567 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.49 127.46 35.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.82 -31.41 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.413 ' HH ' ' N ' ' A' ' 11' ' ' SER . 87.3 m-85 -133.76 154.02 51.28 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.284 0.564 . . . . 0.0 112.384 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.19 115.94 30.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.89 130.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 p -83.85 103.12 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.543 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.27 158.83 8.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.645 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 25.7 tt0 -57.68 -25.38 60.19 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.782 0.433 . . . . 0.0 111.601 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 p -79.93 -9.24 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.033 0.444 . . . . 0.0 111.341 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.24 -3.52 61.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.302 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.35 136.33 36.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.49 0.186 . . . . 0.0 110.583 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.2 109.82 20.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 5.9 m -116.75 145.25 43.61 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -92.57 133.63 35.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 91.6 m-85 -136.23 171.66 14.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.965 0.412 . . . . 0.0 110.275 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 24.1 mtpp -106.55 -178.09 3.55 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.81 20.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 176.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -92.02 -40.31 11.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.511 ' OE1' ' HB2' ' A' ' 62' ' ' LYS . 16.9 mp0 -82.17 -13.41 57.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.4 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 18' ' ' VAL . 60.6 mt -107.07 137.84 44.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.173 0.511 . . . . 0.0 112.128 -171.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -123.5 124.8 26.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.876 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -64.51 131.9 31.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.167 2.578 . . . . 0.0 112.552 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.475 179.003 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.124 0.487 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 97.5 m-85 -95.75 109.58 46.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.896 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' HD22 ' A' ' 16' ' ' LEU . 92.8 Cg_endo -80.82 168.13 17.82 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.877 2.385 . . . . 0.0 113.104 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.3 140.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.986 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.22 24.76 35.93 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.172 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.9 tp -107.84 124.33 49.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.67 124.67 30.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 26.8 m -133.91 148.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.69 122.67 41.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.428 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 2.8 mp . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -100.86 99.15 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.89 -178.59 15.77 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.405 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -130.24 129.56 43.48 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' TYR . 59.8 mt -66.01 132.42 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.222 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -119.8 -30.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 42.2 tt0 -141.82 143.21 33.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.648 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.76 130.78 39.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -112.5 134.25 54.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 0.0 110.989 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -100.72 89.64 3.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.532 0.682 . . . . 0.0 109.668 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.541 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 44.3 t -151.07 -179.52 7.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.425 -175.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.32 4.16 9.72 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 m -120.49 -30.78 4.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.831 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 44' ' ' SER . 66.5 m-85 -148.62 115.59 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.64 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.3 m-20 -104.2 -16.61 15.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.731 0.3 . . . . 0.0 111.391 -168.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.777 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 94.7 m-85 -144.18 153.17 41.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.72 118.11 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.357 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.9 133.26 58.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -96.64 107.27 19.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.82 148.71 48.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.75 -20.55 35.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.661 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 t -70.54 -17.98 62.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.365 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.99 7.1 33.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.213 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.2 160.87 13.99 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.6 mt -122.65 114.75 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.547 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -124.48 142.69 51.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.887 0.375 . . . . 0.0 110.645 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' ' HB3' ' A' ' 47' ' ' TYR . 6.6 m-30 -89.54 140.71 29.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 82.4 m-85 -143.37 175.64 9.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -176.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 21.4 ttmm -113.51 155.34 25.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.061 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.777 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 8.1 pt-20 -57.96 -19.72 32.5 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.745 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -75.26 -25.91 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.479 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 10.1 mp0 -111.82 30.58 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 91.5 mt -121.31 120.92 36.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 111.539 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -124.73 109.32 28.21 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 31.6 Cg_endo -63.98 144.77 88.72 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.829 2.353 . . . . 0.0 112.848 -177.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.643 178.848 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.232 0.145 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.852 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 94.8 m-85 -102.53 105.77 45.74 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-O 120.933 0.396 . . . . 0.0 110.28 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.57 166.8 28.28 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.132 2.555 . . . . 0.0 112.27 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.62 129.68 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.85 11.72 49.18 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.126 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -91.32 130.29 37.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.777 0.323 . . . . 0.0 110.224 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.66 120.41 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.038 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.7 m -129.62 166.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.358 0.599 . . . . 0.0 111.066 -176.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 67' ' ' THR . 15.2 pt-20 -115.19 137.58 51.86 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.939 173.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 34' ' ' ARG . 2.9 mp . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.738 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 7.2 tpt180 . . . . . 0 C--O 1.226 -0.177 0 N-CA-C 110.884 -0.043 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 37.4 mttp -102.22 139.77 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.67 170.97 31.82 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.177 -1.011 . . . . 0.0 113.16 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' OG ' ' A' ' 52' ' ' SER . 20.4 tptm -130.37 118.94 21.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.1 mt -74.95 119.88 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.559 0.218 . . . . 0.0 110.602 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 ' HG3' ' A' ' 40' ' ' GLU . 22.0 pt -116.48 -26.15 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 42.3 mt-10 -136.11 153.98 51.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.054 -175.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -113.8 111.13 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.062 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 60' ' ' TYR . 42.7 mt -89.03 -45.23 9.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 10.5 t-80 68.13 91.99 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.804 0.69 . . . . 0.0 109.746 -171.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.723 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.5 t -157.04 151.18 24.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.468 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.4 -21.36 64.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -108.95 -36.44 6.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.988 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' O ' ' HB3' ' A' ' 44' ' ' SER . 16.8 p90 -144.5 116.4 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.224 0.535 . . . . 0.0 111.393 -177.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 20.4 m-20 -101.17 -10.71 20.16 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.027 -0.421 . . . . 0.0 111.629 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.745 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 42.2 m-85 -128.81 142.88 50.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -175.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -105.82 123.68 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.72 124.22 71.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.07 -172.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 37' ' ' LYS . 35.9 p -85.22 104.83 15.44 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.18 164.22 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.975 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 35' ' ' LYS . 14.7 pt-20 -63.8 -16.07 60.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.631 175.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.3 p -88.51 -7.75 56.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.222 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.94 0.13 66.45 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.1 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.31 150.32 21.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -99.61 112.4 31.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.938 0.399 . . . . 0.0 111.292 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.7 p -101.98 170.99 7.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CD1' HD11 ' A' ' 42' ' ' LEU . 73.5 m-85 -134.27 114.52 13.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.792 0.33 . . . . 0.0 110.196 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.04 174.3 10.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.058 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 34.4 tttp -104.87 164.2 11.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.745 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.0 pt-20 -64.59 -29.37 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -172.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -69.27 -35.18 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.399 0.618 . . . . 0.0 110.208 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.602 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 19.9 mp0 -86.14 8.42 21.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.356 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.9 135.47 55.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.9 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.1 m -135.07 130.67 19.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.852 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 42.9 Cg_endo -67.25 148.47 80.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.269 1.979 . . . . 0.0 112.521 -175.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.442 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.159 0.504 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.505 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 5.7 m-85 -102.51 134.69 19.8 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -176.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.7 Cg_endo -85.67 179.66 3.78 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.091 2.527 . . . . 0.0 112.971 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.14 140.68 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.199 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.08 63.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.1 tp -91.71 127.51 37.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.68 130.64 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 68' ' ' PRO . 25.4 m -139.87 153.19 22.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 37.3 mt-10 -107.47 149.27 28.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 34' ' ' ARG . 2.0 mp . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HB3' HD13 ' A' ' 20' ' ' ILE . 18.2 tpt180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HG2' ' HG2' ' A' ' 19' ' ' GLU . 41.4 mttp -100.9 149.8 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.575 0.226 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.69 -172.36 30.05 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.305 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -145.22 138.53 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.537 0.208 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.3 mt -75.18 120.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.49 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 52' ' ' SER . 36.5 pt -121.99 -0.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.88 156.97 25.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.427 ' HE1' ' O ' ' A' ' 12' ' ' TYR . 89.6 m-70 -108.5 128.7 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.383 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -123.86 169.14 11.88 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -151.07 95.24 2.16 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 170.758 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -142.99 168.95 18.49 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.583 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.36 -8.38 59.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.11 0.481 . . . . 0.0 110.408 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 p -109.55 -36.15 6.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.198 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.741 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -158.46 149.84 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 52.4 m-20 -124.47 2.89 8.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.702 0.287 . . . . 0.0 111.46 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 96.5 m-85 -142.92 141.42 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.43 111.18 23.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -106.8 123.91 62.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.734 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.483 ' HB3' HD13 ' A' ' 39' ' ' ILE . 78.2 p -87.3 111.24 20.86 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.03 165.05 2.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.207 0.527 . . . . 0.0 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.22 -11.33 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.305 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -104.22 0.79 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.47 12.6 60.97 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.664 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -87.0 119.06 26.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.87 106.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.812 0.339 . . . . 0.0 110.712 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -120.76 138.66 53.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.453 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 5.0 m-85 -97.98 135.53 39.55 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.48 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.76 169.12 18.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.741 ' HG3' ' HA ' ' A' ' 47' ' ' TYR . 59.2 mttm -97.16 156.83 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 169.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.8 pt-20 -60.14 -21.03 61.11 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -70.22 -22.28 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.547 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -99.79 15.3 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -127.37 142.02 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.0 111.355 -175.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 25.9 m -116.18 120.68 34.79 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.296 173.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 18' ' ' VAL . 7.5 Cg_exo -70.65 132.26 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.783 2.322 . . . . 0.0 112.635 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 19' ' ' GLU . 74.8 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.028 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 89.3 m-85 -107.14 135.21 19.64 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.806 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 5.3 Cg_exo -79.33 173.51 13.15 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.922 2.415 . . . . 0.0 112.915 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.64 134.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.352 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.81 1.44 45.96 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.064 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -82.86 127.25 33.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.735 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.11 123.85 30.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.199 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.8 m -134.52 159.27 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -175.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB3' HD21 ' A' ' 69' ' ' LEU . 11.0 pt-20 -105.64 152.87 22.58 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 169.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.487 HG12 ' CE2' ' A' ' 61' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.316 -0.863 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -105.1 137.3 43.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.466 . . . . 0.0 110.919 -175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.41 -168.38 14.86 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.007 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -145.44 142.6 29.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.74 112.3 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -97.79 -15.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.436 . . . . 0.0 111.06 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -172.71 150.46 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -105.58 132.48 51.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.458 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.0 mt -91.67 146.41 23.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.556 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -88.35 55.65 3.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 32.4 t -119.85 159.89 23.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.237 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.87 -23.72 18.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 p -87.5 -46.01 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.164 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 44' ' ' SER . 78.2 m-85 -135.11 122.04 21.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.489 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -99.13 -9.12 24.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -170.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.739 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 84.7 m-85 -136.67 150.82 48.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.862 -0.524 . . . . 0.0 111.58 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.4 113.15 25.39 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.8 122.35 56.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 p -84.13 104.85 14.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.388 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD1' HG22 ' A' ' 55' ' ' THR . 16.7 t70 -73.39 156.5 38.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.62 -20.48 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' OD1' ' A' ' 53' ' ' ASP . 10.4 t -79.64 -9.82 59.69 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.491 0.186 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.4 18.11 37.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.515 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -104.03 132.33 50.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.02 100.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -105.3 142.71 34.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.923 0.392 . . . . 0.0 110.016 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -94.88 126.37 40.16 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CE2' HG12 ' A' ' 20' ' ' ILE . 64.0 m-85 -132.97 173.45 11.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.195 0.522 . . . . 0.0 111.356 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 53.4 tttp -120.96 159.36 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.307 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.739 ' HG2' ' HE1' ' A' ' 49' ' ' TYR . 38.0 mt-10 -51.11 -30.36 16.04 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.815 0.34 . . . . 0.0 111.641 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.09 -29.79 61.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -127.69 29.59 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -173.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -130.85 136.33 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.5 m -138.72 127.41 14.08 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.38 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.522 ' HA ' HG12 ' A' ' 18' ' ' VAL . 18.8 Cg_endo -60.25 145.83 97.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.909 2.406 . . . . 0.0 112.783 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 19' ' ' GLU . 97.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.956 0.407 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.504 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.3 m-85 -127.58 134.25 25.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.692 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.5 Cg_exo -71.34 174.29 11.04 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.989 2.46 . . . . 0.0 112.863 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.19 143.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.458 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.54 10.58 70.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.068 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.0 tp -89.96 123.71 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.668 0.27 . . . . 0.0 110.602 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -82.09 130.04 34.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.946 176.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 68' ' ' PRO . 21.0 m -135.3 153.66 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.26 0.552 . . . . 0.0 112.297 -173.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.6 mm-40 -96.1 120.24 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.605 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.564 HD11 HG11 ' A' ' 51' ' ' VAL . 3.4 mp . . . . . 0 C--N 1.319 -0.725 0 CA-C-O 120.714 0.293 . . . . 0.0 110.374 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.448 -0.575 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 31.9 mttp -102.36 119.91 39.61 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 172.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.17 -173.67 14.32 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.04 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -134.77 135.13 41.63 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.597 0.237 . . . . 0.0 110.435 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.2 mt -72.79 111.37 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.752 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 pt -106.4 -13.87 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.917 0.389 . . . . 0.0 111.371 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.0 mm-40 -148.91 141.34 24.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -95.1 128.73 42.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -94.6 179.0 5.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -139.57 33.01 2.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.419 0.628 . . . . 0.0 109.493 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.1 t -96.94 164.29 12.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.07 -14.73 33.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.011 0.434 . . . . 0.0 109.972 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -94.8 -37.89 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -134.12 140.76 46.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.04 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -104.24 -28.83 11.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 0.0 111.189 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.543 ' HE2' ' CB ' ' A' ' 63' ' ' GLU . 49.1 m-85 -136.03 162.64 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 111.404 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -115.96 119.91 37.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 173.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 HD11 ' A' ' 20' ' ' ILE . 87.2 t -116.02 130.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -173.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m -94.78 112.32 24.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.11 173.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.23 173.28 11.56 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.648 -175.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.1 mt-10 -55.72 -38.03 69.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.068 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -70.45 -5.37 28.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.243 0.544 . . . . 0.0 110.162 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.72 8.15 83.22 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.551 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.51 139.44 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.567 0.223 . . . . 0.0 110.421 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.19 101.51 12.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.451 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.2 m -114.09 143.6 44.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.075 -176.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -93.94 137.78 32.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 78.6 m-85 -139.81 171.44 14.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 23.2 mttm -103.96 162.88 12.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.052 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.543 ' CB ' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.85 -14.73 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.349 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.27 -23.93 37.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.551 -175.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -113.39 19.47 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.625 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 85.7 mt -114.71 118.86 34.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.852 0.358 . . . . 0.0 111.002 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -115.05 119.78 38.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.365 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 18' ' ' VAL . 42.2 Cg_exo -56.82 136.43 76.38 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.754 2.303 . . . . 0.0 112.082 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' HB1' ' A' ' 17' ' ' ALA . 61.5 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.039 0.447 . . . . 0.0 111.287 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.435 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 7.2 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -103.22 138.45 19.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' HD22 ' A' ' 16' ' ' LEU . 87.1 Cg_endo -83.57 177.55 6.24 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.957 2.438 . . . . 0.0 112.845 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG23 ' CE1' ' A' ' 41' ' ' HIS . 89.4 t -87.8 139.18 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.5 35.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' HD2' ' A' ' 13' ' ' PRO . 56.1 tp -107.86 127.77 54.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.495 0.188 . . . . 0.0 110.626 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.68 124.03 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 0.0 110.338 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 29.4 m -125.59 161.12 30.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.376 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 49.1 mt-10 -102.92 146.92 27.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.806 175.076 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -115.74 120.51 39.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.9 150.5 19.37 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.684 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -112.0 129.77 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.914 0.387 . . . . 0.0 110.455 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 51' ' ' VAL . 59.4 mt -74.65 123.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.477 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.9 pt -119.96 -6.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.621 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.8 tp10 -150.25 133.72 16.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.414 ' CE1' HG23 ' A' ' 14' ' ' VAL . 19.2 m170 -89.06 107.6 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.88 172.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.35 125.04 33.36 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.192 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -85.83 60.85 6.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.617 0.722 . . . . 0.0 110.299 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -128.73 153.55 47.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.872 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.91 -29.79 35.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.053 0.454 . . . . 0.0 109.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 p -73.18 -45.14 58.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.712 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.25 131.82 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.833 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 4.9 m-20 -101.69 -15.0 17.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.834 0.349 . . . . 0.0 111.259 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' HH ' ' N ' ' A' ' 11' ' ' SER . 38.5 m-85 -136.83 144.49 43.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.044 -173.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.77 107.85 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 169.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 38' ' ' ILE . 46.2 t -104.59 115.88 47.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.741 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 28.5 m -90.64 110.39 21.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.323 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.58 161.58 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.142 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -21.33 64.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 111.488 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -81.5 -9.95 59.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.761 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.19 13.32 33.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.641 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 7.7 m-20 -86.34 120.27 27.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.0 mt -86.56 100.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.861 0.363 . . . . 0.0 110.314 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 m -112.76 138.61 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.204 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.46 134.6 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -141.05 170.9 14.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.275 0.559 . . . . 0.0 111.681 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 54.1 tttp -115.53 170.63 8.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -63.89 -17.31 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.019 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -81.05 -28.67 35.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.965 0.412 . . . . 0.0 110.951 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -93.28 4.84 53.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.544 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 18' ' ' VAL . 87.5 mt -121.49 122.4 39.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 111.765 -174.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.5 m -117.59 109.08 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.501 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 43.5 Cg_endo -66.81 149.62 83.4 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.988 2.458 . . . . 0.0 114.712 -169.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 19' ' ' GLU . 29.8 mt . . . . . 0 C--O 1.234 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.494 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.506 ' HB2' ' OH ' ' A' ' 49' ' ' TYR . 68.3 m . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 22.0 m-85 -118.28 132.33 23.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.428 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.0 Cg_endo -81.4 165.9 18.33 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.89 2.394 . . . . 0.0 112.887 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG13 ' HA ' ' A' ' 39' ' ' ILE . 65.5 t -73.16 138.18 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.294 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 -7.12 55.61 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.67 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.18 119.77 22.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.24 123.64 29.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.5 m -130.77 145.47 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.043 -176.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HG2' ' HG3' ' A' ' 35' ' ' LYS . 39.4 mt-10 -94.34 130.47 40.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp . . . . . 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.58 . . . . 0.0 110.078 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.58 ' HG3' ' HG2' ' A' ' 19' ' ' GLU . 2.2 mptp? -99.75 116.34 31.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.11 -171.79 14.03 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.107 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -143.18 133.08 24.07 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -73.66 120.59 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.082 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HA ' HG13 ' A' ' 14' ' ' VAL . 25.7 pt -116.86 -7.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.7 tp10 -156.16 149.03 24.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.432 ' NE2' HG23 ' A' ' 14' ' ' VAL . 89.3 m-70 -99.1 111.78 24.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.34 117.2 24.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -86.17 79.03 9.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.169 172.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 35.5 t -129.1 -175.0 3.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.579 -175.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.05 -0.13 11.17 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 m -118.48 -46.75 2.57 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.381 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 44' ' ' SER . 48.7 m-85 -117.67 150.43 39.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.642 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.538 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.6 m-20 -112.45 -30.65 7.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.506 ' OH ' ' HB2' ' A' ' 11' ' ' SER . 54.4 m-85 -137.38 146.58 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.41 . . . . 0.0 111.764 -173.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -99.73 114.04 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.46 126.62 69.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p -98.94 115.04 27.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 168.51 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 111.429 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.41 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.4 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -6.33 44.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.97 15.31 70.27 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.736 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -101.04 123.53 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.35 121.35 40.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.02 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 7.2 m -130.13 147.5 51.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.168 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.07 128.26 36.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 84.4 m-85 -130.33 170.68 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.237 0.541 . . . . 0.0 110.531 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.599 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 55.7 tttp -111.71 164.83 12.6 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.74 -30.93 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -72.92 -22.93 60.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.888 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 6.7 mp0 -98.43 25.39 6.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.291 -173.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.5 mt -135.42 156.24 49.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 111.397 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 90.9 m -142.89 105.05 5.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.428 172.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HA ' HG12 ' A' ' 18' ' ' VAL . 17.0 Cg_exo -66.89 149.75 83.12 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.222 2.615 . . . . 0.0 113.545 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' A' ' 19' ' ' GLU . 64.7 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.099 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.77 147.03 22.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.317 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.78 156.12 8.28 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.162 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -98.53 113.04 63.81 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 121.193 0.521 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -90.53 25.5 0.54 Allowed 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.059 2.506 . . . . 0.0 112.45 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tt -81.83 111.72 28.86 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.046 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.1 -56.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.805 2.337 . . . . 0.0 111.63 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -163.13 -65.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.497 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -137.55 -73.26 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.69 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -80.3 112.7 17.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.4 . . . . 0.0 111.942 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.8 m -85.49 -39.76 17.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.424 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 40.7 m-85 -97.21 133.94 23.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.768 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' HD22 ' A' ' 16' ' ' LEU . 93.7 Cg_endo -84.79 173.87 7.95 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.174 2.583 . . . . 0.0 113.15 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -78.26 135.71 25.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.339 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.53 -0.32 58.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.258 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.5 tp -80.27 129.79 34.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.899 0.38 . . . . 0.0 110.589 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.26 127.98 33.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.024 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.2 m -134.32 166.59 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.215 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.6 pt-20 -119.26 148.43 43.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 173.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.22 106.64 17.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' OD1' ' HB2' ' A' ' 23' ' ' ASN . 6.7 p30 -73.95 161.56 29.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.937 0.398 . . . . 0.0 110.505 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -78.2 29.91 0.18 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' HB2' ' OD1' ' A' ' 21' ' ' ASN . 58.0 m-80 -101.73 -3.34 28.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.393 0.616 . . . . 0.0 110.096 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -94.67 19.84 9.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.26 171.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -46.57 -53.52 11.25 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.513 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -97.59 85.38 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.263 0.554 . . . . 0.0 109.755 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.39 -37.65 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 31' ' ' HIS . 80.8 m -136.74 77.85 44.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.41 120.11 7.51 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.762 2.308 . . . . 0.0 112.47 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 63.1 29.61 16.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.974 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 28' ' ' CYS . 38.8 t-80 -120.24 14.35 12.12 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 175.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 24' ' ' ALA . 25.8 m -115.4 151.14 17.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.766 -176.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.89 12.89 38.8 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.428 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -122.62 -171.7 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 9.8 mtmp? -120.23 159.22 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.31 -178.95 29.22 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.118 -0.563 . . . . 0.0 112.115 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -129.54 125.39 36.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.428 HG23 ' HB3' ' A' ' 49' ' ' TYR . 67.3 mt -73.92 112.56 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.4 pt -110.35 -24.03 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.549 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 49.0 mm-40 -137.36 159.56 41.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.489 ' HD2' ' HD1' ' A' ' 49' ' ' TYR . 20.8 m170 -109.38 135.07 51.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.841 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -118.57 151.15 38.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.904 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -112.28 101.82 10.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 29.7 t -164.85 137.43 4.57 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.76 -175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.21 -12.67 60.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.1 p -91.83 -37.02 13.19 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.021 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HB3' ' A' ' 44' ' ' SER . 63.7 m-85 -146.02 129.46 16.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.56 -173.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.751 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 16.9 m-20 -102.26 -24.51 13.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.078 -176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 63' ' ' GLU . 29.2 m-85 -134.09 158.59 43.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.17 0.509 . . . . 0.0 111.597 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -110.55 113.89 26.87 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 171.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HB ' ' HD2' ' A' ' 61' ' ' PHE . 67.4 t -109.81 125.59 66.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 -172.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -87.28 109.91 19.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.539 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.59 150.35 47.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.94 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -60.62 -21.46 62.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 27.1 p -77.56 -9.05 58.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 111.358 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.85 14.62 36.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.613 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -104.51 117.94 35.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -83.92 118.22 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.923 0.392 . . . . 0.0 110.259 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.3 m -124.06 162.09 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.962 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.74 134.86 47.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 74.7 m-85 -137.98 163.68 30.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 111.322 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.751 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 6.4 ttpm? -114.22 161.5 17.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 45.5 mt-10 -53.39 -30.65 41.06 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -75.15 -21.48 58.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.536 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mp0 -95.11 -2.31 50.25 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 18' ' ' VAL . 91.2 mt -122.27 150.03 42.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 112.118 -174.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 m -129.89 121.52 19.95 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.541 175.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HA ' HG12 ' A' ' 18' ' ' VAL . 26.5 Cg_endo -62.71 143.01 91.46 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.53 2.153 . . . . 0.0 113.139 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.431 HD12 ' HB1' ' A' ' 17' ' ' ALA . 95.6 mt -95.26 152.68 18.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.135 176.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -126.29 146.59 49.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.401 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.95 -39.53 38.03 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.327 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 143.62 -104.9 0.36 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.346 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp 63.6 23.55 13.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.066 0.46 . . . . 0.0 110.787 -177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.13 -9.73 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.044 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -120.55 1.68 10.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.298 0.571 . . . . 0.0 110.426 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.2 p -93.09 145.99 6.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.866 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -110.63 95.42 5.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -112.62 97.98 6.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.806 0.336 . . . . 0.0 110.656 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -149.02 -41.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.908 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -131.02 85.88 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 111.277 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -131.92 127.59 36.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.28 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -115.35 85.05 2.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.517 0.675 . . . . 0.0 110.637 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.4 m170 61.2 -163.69 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.178 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.71 -0.662 . . . . 0.0 109.642 -179.453 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 121.225 0.536 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.27 132.77 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.498 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.52 -102.96 0.87 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.305 -175.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.14 114.29 13.36 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.35 -84.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.32 2.68 . . . . 0.0 113.947 -167.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -168.42 92.76 0.61 Allowed Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.865 0.364 . . . . 0.0 110.613 -176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -82.67 -59.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.842 2.362 . . . . 0.0 109.849 165.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.4 tttm 67.29 9.71 7.18 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.079 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 61.65 -122.88 0.8 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.725 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -138.81 106.48 5.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.969 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -95.86 -24.27 16.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.487 ' CE2' ' HB2' ' A' ' 63' ' ' GLU . 50.4 m-85 -99.09 128.16 32.85 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD2' HD22 ' A' ' 16' ' ' LEU . 96.5 Cg_endo -78.18 175.51 11.04 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.913 2.409 . . . . 0.0 112.83 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.81 139.47 17.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.708 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 37' ' ' LYS . . . 94.42 -0.03 65.46 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.824 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 13' ' ' PRO . 57.3 tp -85.73 128.87 34.91 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.781 0.324 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.96 129.49 35.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.792 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.8 m -136.08 155.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.984 0.421 . . . . 0.0 110.516 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.507 ' HG3' HD21 ' A' ' 69' ' ' LEU . 33.4 mt-10 -112.73 122.95 49.18 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 172.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.661 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.0 mp -70.86 151.39 9.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.706 -175.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.912 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 4.8 p30 -128.89 68.4 1.4 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 167.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.564 ' C ' ' H ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -60.02 90.42 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.939 -173.135 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.0 m120 72.05 -30.45 0.21 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 124.287 0.992 . . . . 0.0 109.76 -170.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.912 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . . . 65.31 10.76 6.75 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.212 1.005 . . . . 0.0 112.003 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 25' ' ' ARG . 3.0 tpm_? 46.24 -93.86 0.02 OUTLIER 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.018 0.927 . . . . 0.0 111.648 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -165.31 96.58 0.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.19 -6.25 44.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.546 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 p -179.13 103.28 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 1.019 ' HB2' HG23 ' A' ' 32' ' ' VAL . 40.2 Cg_endo -66.73 132.58 29.07 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.058 1.839 . . . . 0.0 110.075 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -67.01 93.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.898 -174.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.9 t60 74.61 -32.86 0.23 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.768 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.019 HG23 ' HB2' ' A' ' 29' ' ' PRO . 2.6 m -67.53 159.35 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 171.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.661 ' HA2' ' O ' ' A' ' 20' ' ' ILE . . . 105.86 41.0 1.9 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.155 -1.021 . . . . 0.0 111.012 -173.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 34' ' ' ARG . 14.7 mtm180 -80.98 168.48 18.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.018 -0.591 . . . . 0.0 110.093 -177.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -91.27 120.48 32.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -133.09 165.25 24.05 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.074 -1.06 . . . . 0.0 113.276 -173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' HA2' ' A' ' 15' ' ' GLY . 15.9 tppt? -114.04 122.01 45.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.257 -0.472 . . . . 0.0 110.178 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.422 HG12 HG22 ' A' ' 51' ' ' VAL . 69.1 mt -70.65 115.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 174.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' HB2' ' A' ' 52' ' ' SER . 33.3 pt -118.0 -14.47 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -170.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 38.4 tt0 -156.28 142.09 17.93 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.669 -175.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.5 m170 -96.29 138.83 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.024 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -116.22 164.15 14.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -122.27 25.61 8.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.322 0.582 . . . . 0.0 109.777 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.2 t -77.4 165.25 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.095 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.03 -18.66 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.124 0.488 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 p -86.74 -44.57 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.174 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.443 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 45.2 m-85 -143.28 138.0 29.26 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.567 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 1.8 m-20 -102.08 -12.63 17.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 111.173 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.703 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 64.7 m-85 -130.98 152.66 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.765 0.316 . . . . 0.0 111.365 -174.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -117.12 109.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 20' ' ' ILE . 58.9 t -107.69 127.58 63.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -174.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.459 ' HB2' HD13 ' A' ' 39' ' ' ILE . 23.2 t -90.1 109.96 20.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.52 169.11 13.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.174 0.512 . . . . 0.0 111.504 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.53 -11.75 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.514 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -76.8 -22.67 53.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.03 -8.09 55.44 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.854 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.54 153.3 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.62 118.9 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.655 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.4 m -116.46 139.86 49.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.94 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -91.47 135.22 34.0 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 80.8 m-85 -140.08 167.8 21.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.146 0.498 . . . . 0.0 111.126 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.567 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 38.6 mttm -104.99 154.32 20.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 169.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.703 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.9 pt-20 -62.32 -17.98 60.18 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.646 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -55.39 -34.53 64.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -113.89 28.25 8.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.478 -174.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.38 118.67 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.7 m -99.4 119.39 60.42 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 176.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 18' ' ' VAL . 60.4 Cg_endo -72.45 139.2 31.18 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.409 2.072 . . . . 0.0 112.624 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.507 HD21 ' HG3' ' A' ' 19' ' ' GLU . 96.6 mt -98.45 163.74 12.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.988 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -120.77 124.23 44.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.226 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.98 12.18 3.35 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.31 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.92 59.17 4.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.555 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.96 79.5 3.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.253 0.549 . . . . 0.0 110.096 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.76 -1.61 22.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.093 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -105.08 0.38 27.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.279 0.561 . . . . 0.0 110.182 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 p -146.33 116.07 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.98 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.9 mt -104.5 167.17 9.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.523 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -86.67 22.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.27 0.557 . . . . 0.0 111.136 -177.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -124.85 100.55 6.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.033 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' HIS . 58.2 m80 -102.91 -78.88 0.54 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.467 178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -92.47 -67.99 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -117.37 -70.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -109.92 -50.22 3.0 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 19.3 m170 . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.259 167.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 178.09 -70.94 0.01 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.902 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.38 167.26 14.25 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.052 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -118.51 84.56 24.2 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -99.76 5.63 0.86 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.376 2.718 . . . . 0.0 113.881 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.18 156.79 73.66 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.822 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.04 -33.89 96.59 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.582 2.188 . . . . 0.0 111.259 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -135.32 133.48 38.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.2 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -58.74 -55.74 31.18 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.425 0.453 . . . . 0.0 111.253 -174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -91.33 102.57 15.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.873 0.368 . . . . 0.0 110.39 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -88.45 -41.38 12.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.782 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.638 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 85.4 m-85 -70.11 117.03 50.36 Favored Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HD2' HD22 ' A' ' 16' ' ' LEU . 82.0 Cg_endo -80.31 156.11 22.32 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.493 2.129 . . . . 0.0 112.898 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -74.0 130.82 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.749 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.12 2.19 51.5 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.748 -176.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.5 tp -88.94 136.16 33.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.21 131.52 34.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.136 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 68' ' ' PRO . 34.9 m -138.9 170.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HB3' ' HG2' ' A' ' 35' ' ' LYS . 9.7 pt-20 -141.5 158.6 43.64 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.988 0.423 . . . . 0.0 110.156 170.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.434 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 3.8 mp -88.89 118.66 34.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.391 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -76.51 -177.07 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.306 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -84.75 26.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.863 0.839 . . . . 0.0 111.423 -171.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.434 HD22 ' HG2' ' A' ' 65' ' ' GLU . 10.8 t30 -90.35 -17.68 26.87 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.191 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.501 ' HB3' HG22 ' A' ' 32' ' ' VAL . . . -73.54 6.49 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.051 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -56.62 -37.14 70.29 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 0.0 110.346 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -99.3 109.01 21.68 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 172.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.49 -71.03 0.5 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.514 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.3 m -134.72 76.26 60.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.546 0.212 . . . . 0.0 110.665 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.28 29.57 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.567 2.178 . . . . 0.0 112.275 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -136.13 22.77 3.26 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.004 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -150.89 18.26 0.78 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.749 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 24' ' ' ALA . 33.3 t -85.82 145.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.6 49.07 62.11 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.815 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -132.06 140.01 48.73 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -174.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.628 ' HG2' ' HB3' ' A' ' 19' ' ' GLU . 53.7 mttp -102.74 151.66 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.896 0.379 . . . . 0.0 110.958 -174.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.64 178.28 36.71 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.757 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -129.67 129.66 44.55 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.446 HG12 HG22 ' A' ' 51' ' ' VAL . 67.3 mt -66.42 128.99 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.291 -178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' SER . 26.1 pt -115.92 -13.45 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -173.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 161.24 24.31 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.199 0.523 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -98.08 125.46 43.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.88 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' TYR . 52.7 mt -83.24 143.93 30.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.299 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -96.13 18.03 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.783 0.801 . . . . 0.0 108.96 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 21.7 m -98.71 154.68 17.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.944 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.21 -25.06 17.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.131 0.491 . . . . 0.0 110.808 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -40.76 68.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.323 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 44' ' ' SER . 94.3 m-85 -137.21 125.9 23.86 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.73 -9.51 18.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -172.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.638 ' CE1' ' HB2' ' A' ' 12' ' ' TYR . 79.5 m-85 -136.78 144.02 43.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.203 0.525 . . . . 0.0 111.984 -177.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.96 111.08 23.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.352 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 38' ' ' ILE . 53.1 t -103.57 127.04 57.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.608 -175.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 9.6 t -95.63 107.37 19.56 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.0 m-20 -59.28 158.2 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.849 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.92 -24.95 56.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.641 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -84.2 -2.56 57.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.976 -177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.27 15.65 43.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.298 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.723 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 2.7 m-20 -83.66 167.38 17.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.621 0.248 . . . . 0.0 110.528 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.0 mt -132.32 94.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -116.83 141.52 48.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.631 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CD1' HD11 ' A' ' 42' ' ' LEU . 24.9 m-85 -96.23 134.65 39.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.157 -176.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.434 ' CZ ' HG12 ' A' ' 20' ' ' ILE . 50.8 m-85 -141.41 173.91 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.001 0.429 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HG2' ' OE1' ' A' ' 63' ' ' GLU . 54.0 tttp -113.22 159.52 19.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -51.23 -33.25 27.1 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -177.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -74.11 -27.2 60.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' HD22 ' A' ' 23' ' ' ASN . 46.4 mt-10 -94.78 2.28 55.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.87 0.366 . . . . 0.0 111.009 -174.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 93.4 mt -114.07 128.8 56.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.526 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 m -110.59 117.0 51.75 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.064 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.535 ' HA ' HG12 ' A' ' 18' ' ' VAL . 37.3 Cg_endo -66.85 137.0 43.67 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.907 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -95.45 105.86 17.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.497 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.8 mtpm? -88.17 87.22 7.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.49 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.83 95.19 0.73 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.782 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.07 2.54 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.15 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.16 3.44 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.182 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.24 31.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.986 0.422 . . . . 0.0 111.218 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -86.4 -35.66 19.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.6 t -120.7 133.14 68.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.414 -173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.66 132.68 53.68 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.83 -29.88 64.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.571 -172.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -152.27 -168.52 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.508 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 73.56 117.79 0.05 Allowed 'General case' 0 N--CA 1.467 0.42 0 O-C-N 124.041 0.838 . . . . 0.0 111.147 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -75.75 95.31 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.56 0.695 . . . . 0.0 110.461 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -104.02 25.7 9.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.229 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -70.59 -17.83 62.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.1 m80 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.124 171.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.73 97.7 0.05 OUTLIER 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.776 0.672 . . . . 0.0 110.904 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.95 -15.65 60.81 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.681 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -118.72 91.86 43.15 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 111.337 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -92.34 84.76 0.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.351 2.7 . . . . 0.0 110.716 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.3 mt -82.39 112.53 37.2 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.087 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.13 3.92 4.72 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.816 2.344 . . . . 0.0 112.548 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -118.84 9.79 12.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -143.66 -168.24 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.439 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 2.9 m-90 -105.07 108.53 20.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.154 0.502 . . . . 0.0 111.45 -171.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 p -95.68 -29.75 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.37 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.8 m-85 -97.12 132.11 26.3 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.202 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.8 Cg_exo -75.47 164.36 32.64 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.984 2.456 . . . . 0.0 113.189 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 41' ' ' HIS . 69.4 t -83.61 143.09 12.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.857 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.8 3.45 60.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.942 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -107.05 141.73 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 142.49 31.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.746 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.0 m -135.38 148.7 28.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.226 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -109.62 144.3 38.14 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mp -85.01 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.02 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.43 170.93 15.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.41 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.69 25.19 0.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.179 0.514 . . . . 0.0 111.807 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -94.21 -29.22 15.21 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.147 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.8 25.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.582 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -71.67 -6.97 45.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.578 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.2 -33.54 71.84 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 173.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -104.04 -6.67 42.35 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.844 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.6 m -130.65 70.1 82.4 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 173.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.55 123.6 10.34 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.555 2.17 . . . . 0.0 112.506 -171.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.6 m80 57.69 31.04 19.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.288 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -133.48 -88.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.363 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.88 HG12 ' H ' ' A' ' 33' ' ' GLY . 3.4 t 59.0 -169.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.88 ' H ' HG12 ' A' ' 32' ' ' VAL . . . 79.71 13.15 82.77 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.152 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -77.15 137.65 39.01 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 7.7 ttpm? -126.22 129.9 49.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.156 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -136.24 -166.42 10.9 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.22 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.02 134.6 30.07 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.4 mt -70.88 119.54 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 52' ' ' SER . 37.6 pt -114.42 -12.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.57 -175.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.5 tp10 -154.94 149.92 26.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.275 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 14' ' ' VAL . 23.4 m170 -103.87 108.46 19.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.788 176.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.37 124.39 28.83 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -84.99 80.71 9.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.607 0.718 . . . . 0.0 110.129 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -146.98 177.15 9.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.437 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.5 -9.25 12.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -95.54 -45.59 7.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.252 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.3 122.07 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.495 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -109.62 -11.24 14.79 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -171.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -128.27 137.87 52.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.142 0.496 . . . . 0.0 111.954 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.02 107.47 18.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.8 t -101.32 122.71 53.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.26 -173.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 39' ' ' ILE . 27.6 t -89.56 103.65 16.28 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -66.41 161.52 22.46 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.122 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 15.1 pt-20 -73.97 -7.94 54.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.982 0.42 . . . . 0.0 110.545 178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.3 p -75.63 -20.77 58.28 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.225 0.535 . . . . 0.0 109.913 169.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.36 -3.05 40.02 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.287 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -88.06 146.36 25.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -104.63 103.19 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.1 m -114.97 144.5 43.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.03 0.443 . . . . 0.0 110.586 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.62 132.0 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.94 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -136.14 178.01 7.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.322 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 57.2 tttp -123.26 161.98 23.53 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.124 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 29.4 tt0 -48.86 -35.48 14.77 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -65.51 -44.93 85.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.505 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 2.2 pm0 -91.69 1.9 56.84 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -174.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.72 134.14 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.407 . . . . 0.0 111.921 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.7 m -121.77 116.85 30.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.92 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.531 ' HA ' HG12 ' A' ' 18' ' ' VAL . 59.1 Cg_endo -71.78 141.77 38.06 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.81 2.34 . . . . 0.0 112.728 -178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' A' ' 73' ' ' LEU . 97.4 mt -86.7 87.68 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.683 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -98.83 -18.43 17.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.626 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.79 102.61 2.14 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.927 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -50.52 0.9 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.289 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 69' ' ' LEU . 6.8 mp -70.77 -16.04 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 0.0 110.948 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.55 29.37 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.145 176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -148.13 83.89 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.37 142.41 13.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.645 -175.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.9 101.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.116 0.484 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.818 ' HG3' ' HB2' ' A' ' 81' ' ' HIS . 4.9 tp10 -87.5 111.76 21.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.834 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 82' ' ' HIS . 9.0 m170 -101.52 -64.73 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -79.16 4.21 15.44 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.818 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 59.9 m-70 -107.63 -3.83 18.87 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 170.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 10.7 t-80 -85.81 106.53 17.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.914 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -118.75 83.76 2.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.298 0.57 . . . . 0.0 109.556 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 t60 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.278 -0.867 . . . . 0.0 109.094 -174.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.448 0.166 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.63 141.12 2.82 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.32 -55.37 0.81 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.506 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -148.98 119.21 4.08 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 120.71 0.29 . . . . 0.0 110.334 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.22 18.77 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.118 2.545 . . . . 0.0 112.474 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.2 mt 70.07 102.49 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.389 0 O-C-N 123.902 0.752 . . . . 0.0 111.588 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.94 -18.95 16.39 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.975 2.45 . . . . 0.0 111.497 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -74.7 115.62 14.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.77 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -70.18 138.21 51.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.509 ' HE3' ' H ' ' A' ' 10' ' ' TRP . 6.1 m-90 -61.13 158.77 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 t -75.16 -26.83 59.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.287 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -116.81 129.78 25.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HD2' HD22 ' A' ' 16' ' ' LEU . 72.9 Cg_endo -76.4 173.61 14.2 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 123.158 2.572 . . . . 0.0 113.966 -173.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -87.71 138.76 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.841 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.14 -5.47 68.35 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.963 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 68' ' ' PRO . 62.5 tp -74.6 130.66 39.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.652 0.263 . . . . 0.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.22 119.68 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.057 176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.3 m -126.41 146.21 32.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.009 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' OE2' ' HB ' ' A' ' 67' ' ' THR . 0.7 OUTLIER -102.13 145.97 28.61 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.469 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.9 mm -71.75 101.25 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 23' ' ' ASN . 26.3 p30 -70.33 161.3 30.66 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.634 0.731 . . . . 0.0 110.999 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' HB3' ' NE ' ' A' ' 25' ' ' ARG . 40.9 m-80 -76.64 24.63 0.15 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.535 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 21' ' ' ASN . 44.8 t30 -96.36 -28.87 14.27 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.535 175.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.91 -5.75 47.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.309 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' NE ' ' HB3' ' A' ' 22' ' ' ASN . 85.5 mtm180 -61.77 -23.07 65.95 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -87.64 -16.8 33.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.18 -4.5 23.87 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.174 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.1 t -164.8 85.7 1.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.47 127.54 23.14 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.146 2.564 . . . . 0.0 113.756 -169.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.7 m80 54.05 40.47 31.66 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.333 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -122.97 20.91 9.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.367 175.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.6 m -101.79 177.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.0 17.52 56.01 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.353 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -104.82 138.59 40.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -97.72 123.46 41.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.87 175.6 19.95 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.597 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -128.18 125.6 39.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.82 122.87 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.889 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 52' ' ' SER . 35.7 pt -118.13 -5.68 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.8 tp10 -160.73 157.88 27.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -113.14 134.63 54.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.587 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.22 127.53 50.5 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.731 0.301 . . . . 0.0 110.952 -175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -82.99 81.67 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 122.015 0.912 . . . . 0.0 109.545 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.6 t -154.9 178.66 9.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.08 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.74 -0.13 10.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -96.63 -38.51 9.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.187 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.9 137.19 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -95.51 -40.14 9.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.05 0.453 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.431 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 55.7 m-85 -131.07 154.59 48.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.062 0.458 . . . . 0.0 111.947 -170.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -112.64 115.42 28.55 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 173.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -108.04 136.01 44.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.506 ' HB2' HD13 ' A' ' 39' ' ' ILE . 15.1 t -99.3 104.24 16.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 7.4 m-20 -70.51 165.94 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.769 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -64.11 -22.55 66.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.391 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 p -83.03 -5.65 59.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.86 14.17 55.44 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 1.5 m-20 -81.16 142.45 33.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.683 0.278 . . . . 0.0 110.589 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.67 88.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 167.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 m -105.66 141.71 36.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.378 -172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.77 127.67 47.11 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -134.02 175.77 9.17 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 62' ' ' LYS . 12.8 mtpp -103.85 173.67 6.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.624 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.632 ' HG3' ' CD2' ' A' ' 64' ' ' HIS . 10.2 pt-20 -49.36 -42.41 41.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.698 -1.137 . . . . 0.0 113.623 -177.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.632 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 94.9 m-70 -94.76 1.71 55.46 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -172.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -93.34 -0.62 56.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.303 0.573 . . . . 0.0 110.06 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.8 mt -125.89 126.93 45.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.611 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.489 ' HB ' ' OE2' ' A' ' 19' ' ' GLU . 93.9 m -109.89 116.88 53.22 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.25 175.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -65.12 129.67 23.59 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 0.0 112.595 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -74.63 92.42 2.43 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -67.57 -77.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.114 0.483 . . . . 0.0 110.452 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.57 16.61 51.83 Favored Glycine 0 C--N 1.317 -0.52 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.544 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.53 -76.75 2.06 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt 67.28 12.0 8.69 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.247 0.619 . . . . 0.0 111.727 176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.39 79.56 6.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 109.974 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -166.67 -40.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.184 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.63 122.52 63.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.353 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 mp -96.78 -74.63 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.54 84.45 2.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.72 0.771 . . . . 0.0 110.97 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -120.95 112.84 19.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.21 -54.28 46.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.433 -170.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 60.42 87.31 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.12 0.486 . . . . 0.0 111.313 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -132.93 78.88 1.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.267 0.556 . . . . 0.0 110.375 176.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -136.33 -71.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.239 0.539 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.144 175.092 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.7 146.86 39.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.98 -133.24 7.23 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -108.08 100.63 37.47 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-O 121.46 0.648 . . . . 0.0 109.989 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -90.15 162.26 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.075 2.517 . . . . 0.0 112.843 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 93.4 mt -114.43 105.6 53.59 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.944 176.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 6' ' ' LEU . 6.5 Cg_endo -87.0 92.55 0.53 Allowed 'Trans proline' 0 N--CA 1.453 -0.897 0 C-N-CA 122.994 2.463 . . . . 0.0 112.445 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' LYS . 51.5 mmtt -91.07 82.12 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.474 0.654 . . . . 0.0 110.827 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -138.59 -138.36 0.14 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -76.64 85.17 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 171.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.4 m -79.99 -12.13 59.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.804 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 82.9 m-85 -108.73 101.27 43.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.834 176.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.57 159.91 50.39 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.105 2.537 . . . . 0.0 112.829 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.3 133.87 30.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.95 -9.88 51.48 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.1 132.73 39.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.751 0.31 . . . . 0.0 110.316 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.69 124.5 30.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 177.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 68' ' ' PRO . 30.5 m -136.69 154.26 31.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.376 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -109.97 156.75 20.06 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 mp -76.03 126.47 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.213 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -81.58 171.51 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.507 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -80.45 24.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.294 0.569 . . . . 0.0 111.254 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -115.05 -10.66 12.2 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.676 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.42 9.05 38.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.333 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HB2' HG21 ' A' ' 32' ' ' VAL . 3.2 tmt_? -69.95 -32.48 70.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.131 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -74.88 -27.84 60.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -87.48 -39.0 7.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.093 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -146.93 90.64 5.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.51 147.36 70.63 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.392 2.062 . . . . 0.0 112.112 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.3 t60 66.49 26.76 9.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.852 0.834 . . . . 0.0 110.375 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -129.55 9.9 5.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.465 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 25' ' ' ARG . 53.2 t -82.53 140.45 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.682 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.03 1.2 76.54 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.141 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -76.73 167.52 21.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.602 0.239 . . . . 0.0 110.769 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 65.1 mmtt -118.81 140.54 49.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.95 -174.65 26.02 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.417 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -138.53 133.62 32.84 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' VAL . 69.6 mt -72.62 121.7 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.187 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.8 pt -110.43 -21.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.689 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.0 mm-40 -146.56 148.44 32.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.011 0.434 . . . . 0.0 111.489 -176.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -101.74 126.09 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.42 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 48' ' ' ASP . 91.0 mt -93.95 -170.79 2.4 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -137.81 42.39 2.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.558 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 40.7 t -114.55 160.25 19.47 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.24 -172.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.57 -9.67 20.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.316 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.8 p -94.27 -51.37 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.205 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 44' ' ' SER . 95.0 m-85 -143.94 121.21 11.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 42' ' ' LEU . 21.8 t70 -117.35 3.02 12.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.145 0.498 . . . . 0.0 112.158 -166.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.557 ' HE1' ' HB3' ' A' ' 63' ' ' GLU . 93.3 m-85 -130.27 143.85 51.02 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 122.153 -0.342 . . . . 0.0 110.307 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -108.66 114.86 29.01 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.483 HG22 HG12 ' A' ' 38' ' ' ILE . 66.7 t -115.4 127.91 72.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.997 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -91.53 111.84 23.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.724 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.7 156.38 39.07 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 49.6 mt-10 -66.59 -10.16 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.7 p -78.86 -5.81 54.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.159 0.504 . . . . 0.0 110.194 172.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.98 15.97 61.95 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.543 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.84 137.05 37.98 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -98.15 104.95 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.855 0.36 . . . . 0.0 110.158 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -114.07 148.72 36.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.879 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CD1' HD11 ' A' ' 42' ' ' LEU . 47.1 m-85 -97.49 129.98 44.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -128.44 171.24 12.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.171 0.51 . . . . 0.0 110.978 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -104.16 162.6 13.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.216 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.557 ' HB3' ' HE1' ' A' ' 49' ' ' TYR . 10.5 pt-20 -59.66 -33.33 71.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -90.36 -12.37 37.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.653 -178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.89 10.82 14.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.533 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.17 152.13 51.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.581 -179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.1 m -130.98 120.55 18.42 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.332 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 18' ' ' VAL . 51.4 Cg_endo -69.0 137.86 38.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.106 2.537 . . . . 0.0 112.805 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.5 mt -88.02 85.45 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.089 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 69.94 -30.76 0.2 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -47.73 -50.53 19.64 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 114.184 0.434 . . . . 0.0 114.184 -174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.49 18.69 55.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.143 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mp -111.45 -44.26 3.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.827 0.346 . . . . 0.0 110.601 -178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.3 27.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.085 0.469 . . . . 0.0 111.126 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -80.01 -34.58 38.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.58 129.68 48.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.091 0.472 . . . . 0.0 111.296 -175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.6 mt -129.54 94.06 3.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -144.42 -61.26 0.38 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -79.7 45.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.791 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -69.48 -24.35 63.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.754 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -146.51 162.2 38.83 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 175.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -84.42 120.78 26.68 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.52 -177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -131.38 111.37 11.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.659 178.191 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mmm . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.497 0.189 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.64 94.12 4.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.79 0.328 . . . . 0.0 110.982 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.05 -149.78 6.58 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.875 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -116.68 100.44 53.42 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.649 0.737 . . . . 0.0 110.966 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -85.7 1.47 8.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.704 2.269 . . . . 0.0 111.649 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp 59.63 88.35 0.12 Allowed Pre-proline 0 N--CA 1.462 0.148 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.517 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.36 95.21 0.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.398 2.065 . . . . 0.0 110.535 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 16.5 ptpt -61.27 131.97 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.412 0.625 . . . . 0.0 110.99 -176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -86.13 6.95 26.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.376 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -122.73 111.55 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.486 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t -81.21 -29.12 34.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.345 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -101.89 124.96 38.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.64 0.257 . . . . 0.0 110.425 177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.2 Cg_endo -79.6 172.62 14.11 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.081 2.521 . . . . 0.0 113.293 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 41' ' ' HIS . 75.1 t -78.46 141.05 15.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.601 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.6 5.37 61.6 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.739 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD22 ' HD2' ' A' ' 13' ' ' PRO . 43.3 tp -94.55 131.32 40.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -88.46 126.11 35.07 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.2 m -132.63 154.4 39.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.478 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HB3' HD21 ' A' ' 69' ' ' LEU . 17.0 pt-20 -105.64 142.45 35.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.057 0.456 . . . . 0.0 109.883 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.2 mp -92.25 117.35 35.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -176.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 23' ' ' ASN . 42.9 m-80 -72.72 156.68 38.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.665 ' HA ' ' HB ' ' A' ' 32' ' ' VAL . 3.7 p-10 -77.52 23.71 0.22 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.438 0.637 . . . . 0.0 111.569 -177.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 21' ' ' ASN . 8.6 t30 -95.64 -15.58 22.63 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.225 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.38 31.19 0.66 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.768 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -59.88 -26.61 66.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.407 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -90.49 -11.86 39.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.156 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.49 -58.09 2.79 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.504 ' HB2' HG21 ' A' ' 59' ' ' THR . 20.9 m -166.84 103.79 0.65 Allowed Pre-proline 0 CA--C 1.516 -0.338 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.21 167.14 25.87 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.114 1.876 . . . . 0.0 111.03 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.8 m80 64.5 24.93 13.2 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -173.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -143.96 5.34 1.32 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.922 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.665 ' HB ' ' HA ' ' A' ' 22' ' ' ASN . 24.0 m -98.61 146.4 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.507 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.69 31.59 39.96 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 -171.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -125.54 170.86 11.02 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -173.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.51 135.06 49.84 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 53' ' ' ASP . . . -143.53 -179.53 20.2 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.699 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -125.57 132.6 52.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.658 0.266 . . . . 0.0 110.452 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.9 mt -70.2 115.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.858 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 pt -106.26 -25.17 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.412 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 10.3 mm-40 -136.34 151.34 49.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.286 -176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.473 ' CE1' HG23 ' A' ' 14' ' ' VAL . 15.9 m170 -107.12 126.41 52.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.06 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -101.69 34.32 2.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.875 0.845 . . . . 0.0 109.046 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -81.49 175.85 10.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.778 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.8 -0.3 15.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 m -107.09 -36.77 6.49 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.625 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -138.31 141.33 39.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.725 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.34 -41.02 13.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.794 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.632 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 23.2 m-85 -134.67 163.1 30.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.376 0.608 . . . . 0.0 112.291 -168.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -114.57 116.38 28.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.217 172.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.11 124.27 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.336 -173.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.0 t -100.69 111.18 23.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.563 ' HA ' ' HA2' ' A' ' 36' ' ' GLY . 0.8 OUTLIER -78.73 173.11 12.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.185 0.517 . . . . 0.0 112.169 -173.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.22 -29.12 65.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.557 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 -6.01 59.34 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.83 -7.92 57.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.995 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -92.45 137.56 32.26 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.359 0.6 . . . . 0.0 111.243 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.11 132.85 52.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.859 -174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' ' 28' ' ' CYS . 43.3 m -136.21 144.66 45.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.272 176.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CD1' HD11 ' A' ' 42' ' ' LEU . 33.7 m-85 -87.19 136.93 32.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -140.02 174.7 10.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.064 0.459 . . . . 0.0 111.288 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -110.84 165.61 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.443 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.632 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -76.02 5.77 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.112 0.482 . . . . 0.0 111.506 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -95.64 -17.96 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.187 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -110.47 -7.39 14.76 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.934 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 18' ' ' VAL . 91.7 mt -105.9 130.03 53.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 111.905 -173.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 m -110.05 119.49 47.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.721 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 18' ' ' VAL . 20.0 Cg_endo -61.0 134.91 55.75 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.537 2.158 . . . . 0.0 112.026 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 19' ' ' GLU . 87.0 mt -79.72 169.36 18.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 110.753 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -80.22 140.2 36.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.489 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.62 77.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.733 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.63 -71.15 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.592 -0.814 . . . . 0.0 113.352 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.61 -6.62 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -172.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.87 100.75 11.97 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.448 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.6 t80 73.92 91.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.545 1.153 . . . . 0.0 111.27 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 p -144.22 102.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.342 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -125.31 106.31 9.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.985 0.421 . . . . 0.0 110.941 -172.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' HB2' ' H ' ' A' ' 79' ' ' HIS . 0.4 OUTLIER -155.64 -160.05 0.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.573 169.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.44 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 41.2 t-80 -70.57 100.29 1.79 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.906 0.384 . . . . 0.0 111.795 -170.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.467 ' HB2' ' C ' ' A' ' 84' ' ' HIS . 94.9 m-70 -126.65 143.37 51.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.909 172.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -105.62 92.16 4.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.361 0.6 . . . . 0.0 109.94 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -173.79 -67.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.366 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -155.26 31.83 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.328 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 64.0 m170 . . . . . 0 C--O 1.239 0.527 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.472 -157.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' A' ' 5' ' ' PRO . 26.3 ttt . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.93 -71.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.313 . . . . 0.0 110.526 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -130.08 -92.5 0.64 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.113 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -103.92 119.51 54.2 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 35.5 Cg_exo -57.08 131.7 46.97 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.277 2.651 . . . . 0.0 113.386 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.94 157.33 66.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.345 175.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.2 100.41 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.643 2.229 . . . . 0.0 112.258 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -90.43 135.7 33.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.523 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -117.22 -173.05 2.33 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -101.45 139.92 36.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.87 0.367 . . . . 0.0 110.626 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -82.45 -38.34 24.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.291 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 31.2 m-85 -100.18 130.71 25.45 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.645 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 4.0 Cg_exo -75.32 161.62 37.54 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 122.977 2.451 . . . . 0.0 112.459 178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.5 139.58 19.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.794 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.03 -12.79 60.62 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.985 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.7 tp -74.46 121.35 21.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.84 0.352 . . . . 0.0 110.604 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.31 123.59 27.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.084 174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.0 m -134.16 153.78 36.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.961 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -101.48 139.4 37.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.096 0.474 . . . . 0.0 110.291 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.566 HD11 HG11 ' A' ' 51' ' ' VAL . 2.1 mp -82.41 135.22 25.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.916 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -121.09 27.94 8.15 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -174.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.619 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 2.9 t-20 -54.24 89.37 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.343 0 O-C-N 124.809 1.318 . . . . 0.0 111.056 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 75.69 7.49 3.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.831 -1.532 . . . . 0.0 110.204 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' A' ' 28' ' ' CYS . . . -75.86 -60.83 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.246 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -80.41 13.43 2.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.501 0.667 . . . . 0.0 110.682 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -167.72 82.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.427 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.78 -66.42 0.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.473 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' O ' ' HA ' ' A' ' 24' ' ' ALA . 74.5 m -137.57 98.17 10.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.86 31.31 0.48 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.689 2.259 . . . . 0.0 112.978 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -178.19 94.55 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.328 176.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -171.65 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.524 0.678 . . . . 0.0 109.263 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 24' ' ' ALA . 17.0 m -106.14 -154.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.384 172.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . 120.5 63.4 0.25 Allowed Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.478 -0.868 . . . . 0.0 111.409 -178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 122.35 45.99 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.369 -0.415 . . . . 0.0 110.201 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.83 119.29 25.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 170.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.35 -175.95 14.13 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.026 -176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -129.1 131.81 47.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.646 0.26 . . . . 0.0 110.348 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 49' ' ' TYR . 74.3 mt -70.81 115.06 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.763 177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.98 -16.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.744 0.307 . . . . 0.0 111.387 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.2 mm-40 -143.0 134.46 26.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -89.36 95.95 10.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.089 172.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.53 128.39 35.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -102.05 85.16 2.62 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.896 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -151.58 -176.4 5.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.758 -175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.81 -9.29 14.82 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.78 -42.53 9.08 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.589 -1.187 . . . . 0.0 110.411 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -141.3 139.44 33.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.604 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 62' ' ' LYS . 2.2 m-20 -108.43 -14.68 14.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 71.8 m-85 -140.62 143.67 35.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.927 0.394 . . . . 0.0 111.535 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -109.83 116.42 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 172.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG11 HD11 ' A' ' 20' ' ' ILE . 48.4 t -111.1 132.38 59.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.259 -172.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.3 m -90.36 106.25 18.37 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.73 162.09 29.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.997 0.427 . . . . 0.0 111.446 -173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.73 -14.87 16.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.55 173.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.1 p -70.26 -30.99 68.17 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.723 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.17 -12.68 16.75 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.046 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -95.3 171.54 8.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.798 0.333 . . . . 0.0 110.5 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 64.0 mt -117.56 117.57 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.58 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.8 m -117.78 147.58 42.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.989 0.423 . . . . 0.0 110.456 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -94.38 134.26 37.08 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 77.0 m-85 -142.8 176.34 9.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.239 0.542 . . . . 0.0 110.815 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 48' ' ' ASP . 31.0 mtpt -116.61 163.31 16.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.882 172.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.66 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 10.4 pt-20 -64.58 -7.8 11.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.997 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -62.58 -29.07 70.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.534 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.619 ' OE1' ' HA ' ' A' ' 22' ' ' ASN . 5.7 mt-10 -134.02 32.37 3.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 111.553 -173.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.4 mt -117.08 121.6 41.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.187 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.6 m -114.04 119.68 40.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 18' ' ' VAL . 21.4 Cg_exo -65.07 144.2 81.16 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.437 2.091 . . . . 0.0 111.573 176.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -70.08 170.01 12.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.898 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.669 ' HA ' ' HE2' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -68.59 -35.6 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.354 -174.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.5 -70.25 2.22 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.341 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -131.1 148.96 19.08 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 tp -137.19 31.11 2.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.563 0.697 . . . . 0.0 109.76 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 2.35 34.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.293 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.84 -36.69 42.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.899 0.381 . . . . 0.0 110.094 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 77' ' ' LEU . 7.2 p -97.79 -54.54 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.527 -177.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.44 ' N ' HG13 ' A' ' 76' ' ' VAL . 93.7 mt 41.14 -108.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.234 0.613 . . . . 0.0 111.549 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HG3' ' HB2' ' A' ' 81' ' ' HIS . 25.9 tt0 -162.83 97.49 0.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.46 -69.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.694 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -106.52 -47.56 3.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.536 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 9.6 t-80 62.52 33.03 16.29 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.532 175.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -83.46 77.61 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -153.75 104.97 2.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.853 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.679 176.653 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.547 0.213 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.62 98.96 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.136 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.61 -47.44 1.04 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.48 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 20.9 t70 -77.03 136.13 66.37 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 21.1 Cg_exo -65.44 85.62 0.21 Allowed 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.736 2.29 . . . . 0.0 113.164 -177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.38 78.64 32.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -89.68 47.4 0.94 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.008 2.472 . . . . 0.0 112.92 -175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG3' ' HZ3' ' A' ' 10' ' ' TRP . 13.9 tppt? -129.72 110.69 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.958 0.408 . . . . 0.0 110.917 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' HD1' ' O ' ' A' ' 10' ' ' TRP . 45.4 p90 -128.93 166.85 18.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.384 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.458 ' O ' ' HD1' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -104.38 174.52 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.256 -179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -58.3 -38.55 77.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.049 0.452 . . . . 0.0 110.621 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 70.8 m-85 -115.59 137.79 23.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.308 176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.7 Cg_exo -74.5 176.13 10.12 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.886 2.39 . . . . 0.0 112.905 -176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.59 133.37 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.855 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.19 53.38 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.237 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.07 133.54 33.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.724 0.297 . . . . 0.0 110.398 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.96 132.04 34.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.302 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 68' ' ' PRO . 27.7 m -140.39 147.24 23.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.392 -177.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HG3' HD21 ' A' ' 69' ' ' LEU . 36.6 mt-10 -102.99 144.03 31.8 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 20' ' ' ILE . 3.1 mp -82.12 128.18 38.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.008 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.59 23.23 4.0 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.626 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 27.6 t-20 -61.92 88.06 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 112.773 -2.012 . . . . 0.0 108.87 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PRO . 0.2 OUTLIER 87.05 31.14 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.318 175.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.807 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . . . -56.59 96.99 0.02 OUTLIER 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.461 172.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.722 ' HB3' ' HA ' ' A' ' 29' ' ' PRO . 26.5 ttt85 -85.51 93.36 8.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.817 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 t80 59.04 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.478 0.711 . . . . 0.0 112.029 176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.51 25.09 2.0 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 p -169.69 76.35 0.67 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.654 0.74 . . . . 0.0 109.281 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.807 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 6.2 Cg_exo -80.01 -146.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.666 2.91 . . . . 0.0 111.224 -175.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -78.8 45.81 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 61.3 20.23 10.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.87 -174.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.795 HG22 ' HB2' ' A' ' 29' ' ' PRO . 26.0 m -86.91 -164.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.16 29.75 16.42 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 -167.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -100.49 156.16 17.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.926 -1.137 . . . . 0.0 108.867 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 59.3 mttm -97.5 145.37 26.29 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.513 -174.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.35 -171.75 25.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.084 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -146.92 140.55 25.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 49' ' ' TYR . 82.8 mt -76.32 114.46 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.239 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 pt -108.04 -12.63 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.612 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 8.5 tp10 -154.42 154.27 32.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.898 0.38 . . . . 0.0 111.252 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -100.62 137.29 39.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.59 175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.57 151.39 48.96 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.246 0.546 . . . . 0.0 111.252 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -125.19 69.4 1.14 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.067 171.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 46' ' ' THR . 32.7 t -104.14 15.11 29.16 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.765 -175.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 64.7 -42.69 0.3 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.169 -1.378 . . . . 0.0 111.521 -175.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.497 ' H ' ' C ' ' A' ' 44' ' ' SER . 66.7 p -92.46 -33.05 14.66 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.271 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -127.36 140.51 52.13 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' OD2' ' HG2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -106.99 -17.2 14.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.689 -176.344 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.895 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 78.2 m-85 -139.58 152.59 46.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.911 0.386 . . . . 0.0 111.761 -173.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -104.83 116.37 31.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 79.9 t -108.19 129.28 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.191 0.519 . . . . 0.0 111.695 -173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 p -94.42 117.18 29.73 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.084 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' H ' ' A' ' 57' ' ' ASP . 7.5 t70 -65.37 175.99 1.55 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.679 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HG2' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -91.84 -13.22 31.75 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -178.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.2 m -84.43 -23.13 30.13 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 112.417 -2.174 . . . . 0.0 110.202 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.5 11.83 26.22 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.754 -0.736 . . . . 0.0 113.065 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 53' ' ' ASP . 27.0 t70 -90.49 140.19 29.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.3 mt -106.03 113.05 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.1 m -136.9 144.27 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.955 0.407 . . . . 0.0 110.745 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -84.73 138.31 32.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.691 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -137.26 171.81 13.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.619 . . . . 0.0 111.806 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.492 ' HG2' ' OD2' ' A' ' 48' ' ' ASP . 9.1 tmtm? -119.71 136.1 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.895 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -67.95 -5.26 16.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -168.359 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' H ' ' HD3' ' A' ' 62' ' ' LYS . 38.5 t-80 -79.45 -27.37 41.64 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.552 . . . . 0.0 109.811 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HB3' ' HA ' ' A' ' 22' ' ' ASN . 8.8 mp0 -111.35 24.06 13.28 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.847 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 63' ' ' GLU . 78.4 mt -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.963 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.6 m -124.56 109.3 28.58 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.22 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HA ' HG12 ' A' ' 18' ' ' VAL . 31.8 Cg_endo -64.41 151.81 84.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.082 2.521 . . . . 0.0 113.299 -175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 19' ' ' GLU . 90.5 mt -103.23 117.2 33.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.662 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -122.94 44.1 2.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.709 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.15 95.33 0.84 Allowed Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.263 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.76 49.74 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 tt -94.46 -54.55 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.47 16.62 24.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.423 0.63 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.571 ' HE2' HD22 ' A' ' 77' ' ' LEU . 82.5 t80 -151.07 99.48 2.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.105 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.8 124.55 35.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.403 -178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD22 ' HE2' ' A' ' 75' ' ' TYR . 49.5 tp -154.54 154.02 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.9 -176.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -56.72 143.85 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.281 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -118.39 -72.88 0.67 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -143.8 105.52 4.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -68.54 161.74 27.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.544 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -59.93 119.11 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.603 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -94.94 17.66 13.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.524 0.678 . . . . 0.0 109.744 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.658 -0.686 . . . . 0.0 110.277 -177.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 121.108 0.48 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.13 113.9 20.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.095 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.32 -32.89 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.134 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -124.5 106.8 29.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.708 0.289 . . . . 0.0 110.335 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -91.88 -163.18 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 123.133 2.555 . . . . 0.0 112.379 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.66 145.98 33.27 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.68 122.34 10.88 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.233 . . . . 0.0 112.034 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.84 15.21 20.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.523 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -130.36 150.83 51.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.782 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -60.52 123.36 17.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.587 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -94.95 -19.39 20.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.068 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 33.3 m-85 -92.66 120.59 67.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.495 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.1 Cg_exo -72.08 165.31 32.99 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 123.064 2.509 . . . . 0.0 112.407 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -78.85 119.39 27.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.09 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.3 -6.15 19.19 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.133 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.9 tp -77.99 126.48 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.786 0.327 . . . . 0.0 110.347 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.46 120.26 25.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.548 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.2 m -130.97 142.82 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 35' ' ' LYS . 11.3 pt-20 -102.15 162.18 13.11 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.194 0.521 . . . . 0.0 111.014 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 20' ' ' ILE . 3.9 mp -95.37 107.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.444 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.72 168.0 17.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 3.9 m-20 -79.17 31.51 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -171.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -101.97 -24.4 14.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.979 0.419 . . . . 0.0 109.894 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.73 22.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.331 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.4 mtm105 -58.38 -43.25 88.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.634 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -94.08 105.9 17.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.57 -42.9 1.04 Allowed Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 t -151.01 87.19 4.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-O 120.986 0.422 . . . . 0.0 109.874 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -74.32 154.24 45.91 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.562 2.175 . . . . 0.0 112.118 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.2 t60 64.63 25.13 13.09 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.798 0.809 . . . . 0.0 110.162 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -144.6 15.04 1.6 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.523 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 22' ' ' ASN . 38.2 t -89.3 135.75 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.954 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.21 9.57 72.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.64 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.661 ' HB3' ' OD1' ' A' ' 53' ' ' ASP . 23.5 mmm180 -85.67 159.54 19.79 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 57.1 mttm -129.58 115.97 18.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.132 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 53' ' ' ASP . . . -126.26 -167.36 12.42 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 -175.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.01 134.13 38.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.697 0.284 . . . . 0.0 110.239 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 51' ' ' VAL . 75.1 mt -76.81 119.46 25.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.322 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.51 -17.56 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 38.4 mt-10 -142.05 154.29 44.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.897 0.38 . . . . 0.0 111.169 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -109.02 126.57 53.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.538 HD11 ' CD1' ' A' ' 60' ' ' TYR . 87.7 mt -101.93 134.82 44.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.597 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -91.63 84.42 5.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.703 0.763 . . . . 0.0 109.749 174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.1 t -150.47 159.62 44.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.916 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.62 -7.18 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.66 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 62' ' ' LYS . 8.4 p -109.2 -31.91 7.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.497 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' SER . 28.9 m-85 -133.36 119.64 19.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' ' 49' ' ' TYR . 2.7 m-20 -96.84 -27.37 14.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.627 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.744 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 75.7 m-85 -134.64 153.3 52.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.224 0.535 . . . . 0.0 112.163 -171.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -107.74 112.51 25.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.025 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG22 HG12 ' A' ' 38' ' ' ILE . 59.1 t -110.57 118.32 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -98.08 114.97 27.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.067 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 34' ' ' ARG . 20.9 t70 -64.27 160.91 17.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.065 178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.3 -24.9 61.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.9 p -73.59 -15.59 61.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.036 0.446 . . . . 0.0 111.386 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.38 0.33 43.71 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.989 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -76.41 113.01 13.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.645 0.259 . . . . 0.0 110.704 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.83 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.879 0.371 . . . . 0.0 110.105 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.52 166.65 14.46 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.065 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CD1' HD11 ' A' ' 42' ' ' LEU . 39.0 m-85 -122.04 130.52 53.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -143.18 -179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.071 0.462 . . . . 0.0 111.492 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 46' ' ' THR . 0.7 OUTLIER -105.05 159.11 16.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.538 176.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.744 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.87 -35.32 70.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -68.96 -29.66 67.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.837 0.351 . . . . 0.0 111.539 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.77 10.22 39.46 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.32 125.51 49.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.57 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.8 m -114.76 114.97 44.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 -178.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HA ' HG12 ' A' ' 18' ' ' VAL . 22.5 Cg_exo -64.11 140.76 73.34 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.619 2.212 . . . . 0.0 112.005 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.89 128.36 35.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.712 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 38.9 ttmt -71.62 -45.13 63.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.914 -172.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.12 -88.89 1.5 Allowed Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.7 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.52 44.55 96.46 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.941 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.672 ' H ' HD23 ' A' ' 73' ' ' LEU . 1.4 pt? -97.44 -29.1 13.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.742 -178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.85 40.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -120.4 14.33 11.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 110.269 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -88.61 66.49 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.018 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp 45.54 91.21 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -88.63 -45.93 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.83 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.511 0.507 . . . . 0.0 111.101 174.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.4 m170 64.67 174.71 0.2 Allowed 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.708 0.63 . . . . 0.0 111.234 -174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 61.04 93.37 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.11 94.68 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 111.973 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -112.35 -7.23 13.98 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 168.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--O 1.247 0.921 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.783 176.084 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.8 87.83 4.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.92 0.39 . . . . 0.0 110.167 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.71 14.95 2.44 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.773 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.708 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 8.4 p-10 -87.36 163.81 37.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.708 ' HD2' ' HB2' ' A' ' 4' ' ' ASP . 18.6 Cg_endo -58.82 103.07 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.207 2.605 . . . . 0.0 114.09 -174.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 10.4 mp -121.89 122.45 27.73 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.452 171.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 7.9 Cg_exo -72.33 -83.43 0.0 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.537 2.158 . . . . 0.0 112.586 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 85.7 tttt 174.03 -95.74 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.9 t80 178.41 151.78 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.487 ' HA ' ' OH ' ' A' ' 49' ' ' TYR . 6.0 m-90 63.25 85.57 0.13 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.394 0.434 . . . . 0.0 110.212 -172.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 26.4 m -76.32 -8.15 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 111.512 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.585 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 97.4 m-85 -96.49 107.23 34.77 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 11' ' ' SER . 12.1 Cg_exo -70.65 149.38 61.11 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.888 2.392 . . . . 0.0 112.174 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.35 113.98 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.036 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.87 -6.61 13.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.005 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.05 125.92 32.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.768 0.318 . . . . 0.0 110.46 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.83 130.82 36.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.877 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 68' ' ' PRO . 33.7 m -133.47 160.37 42.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.1 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -112.81 148.03 35.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.803 0.335 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 20' ' ' ILE . 4.0 mp -82.41 133.91 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.849 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.417 HD22 ' N ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -76.76 164.68 25.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.041 0.448 . . . . 0.0 111.241 -178.1 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 65.1 t30 -81.35 26.55 0.45 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.839 0.828 . . . . 0.0 110.95 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 p30 -104.95 -6.66 19.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.411 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HB3' HG22 ' A' ' 32' ' ' VAL . . . -81.8 10.13 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -53.49 -42.86 67.72 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.389 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -106.1 12.19 30.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 0.0 110.356 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.7 -44.61 1.77 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.789 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 t -166.95 104.67 0.64 Allowed Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.85 153.03 64.11 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.313 2.009 . . . . 0.0 112.126 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 62.3 m170 66.24 25.58 10.56 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.367 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 59' ' ' THR . 0.1 OUTLIER -138.73 12.9 2.71 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 -176.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 24' ' ' ALA . 48.5 t -101.53 136.24 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.25 40.09 61.44 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.319 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -122.87 173.67 7.64 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' HB3' ' OE2' ' A' ' 54' ' ' GLU . 81.6 tttt -105.58 134.53 48.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.494 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.49 174.24 22.37 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -129.7 135.68 48.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.869 0.334 . . . . 0.0 110.687 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.692 HD13 HG22 ' A' ' 51' ' ' VAL . 44.1 mm -62.23 123.36 14.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 pt -117.66 -17.9 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.056 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -162.04 157.7 23.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.855 0.36 . . . . 0.0 110.689 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -101.88 129.6 48.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.734 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -103.47 158.72 16.16 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -119.75 81.06 1.67 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.679 0.752 . . . . 0.0 109.43 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.65 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 41.9 t -141.44 150.3 42.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.032 -175.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -26.06 59.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.369 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -91.58 -43.37 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.246 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.661 ' CD1' ' HA ' ' A' ' 61' ' ' PHE . 37.9 m-85 -140.2 119.92 13.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.588 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.96 5.81 28.57 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.895 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.82 ' HE2' ' HG3' ' A' ' 63' ' ' GLU . 98.9 m-85 -136.36 145.66 45.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.24 0.543 . . . . 0.0 111.917 -177.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.95 111.82 21.74 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.692 HG22 HD13 ' A' ' 38' ' ' ILE . 21.8 t -109.84 154.53 11.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.891 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 p -118.6 117.13 28.13 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 174.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.81 149.04 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.876 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 35' ' ' LYS . 10.1 pt-20 -64.36 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.197 0.522 . . . . 0.0 110.451 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.2 p -81.1 -12.64 59.23 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.277 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.37 1.98 41.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.362 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.71 171.08 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 48.9 mt -118.15 126.78 75.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.481 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.776 HG22 ' CE1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -106.39 92.3 4.07 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.933 -177.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -87.9 101.02 13.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.776 ' CE1' HG22 ' A' ' 59' ' ' THR . 85.6 m-85 -142.24 -176.11 4.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -175.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG2' ' OE2' ' A' ' 63' ' ' GLU . 2.5 tttm -114.05 -179.63 3.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.82 ' HG3' ' HE2' ' A' ' 49' ' ' TYR . 2.6 mp0 -49.67 -36.7 25.82 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.762 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -74.29 -26.32 60.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -93.62 -6.75 45.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.024 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.6 mt -116.78 146.42 42.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.411 -173.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.2 m -137.32 124.05 13.62 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.177 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 51.0 Cg_endo -70.47 152.21 65.48 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.059 1.84 . . . . 0.0 112.261 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -79.92 52.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.222 0.534 . . . . 0.0 110.644 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HA ' HD13 ' A' ' 73' ' ' LEU . 28.7 mtpp -80.47 86.99 5.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.793 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.25 -58.09 1.6 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.101 173.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.5 52.38 0.48 Allowed Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.604 -0.599 . . . . 0.0 111.604 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 70' ' ' LYS . 8.8 mp -84.15 78.82 9.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.304 0.573 . . . . 0.0 110.708 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -143.98 55.05 1.3 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.652 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -95.89 164.33 12.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.624 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.6 t 71.11 -7.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.779 0.674 . . . . 0.0 112.032 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.1 mt 64.82 88.77 0.1 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -172.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -46.01 92.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.841 -170.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 59.61 -165.44 0.2 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -171.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -105.54 -25.88 12.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 170.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.89 132.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.04 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.41 -58.78 4.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 175.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -169.14 -43.75 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.256 -1.338 . . . . 0.0 107.459 171.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.1 m80 . . . . . 0 C--O 1.243 0.744 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.967 171.085 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.87 -39.47 66.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.65 179.4 43.08 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.925 171.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 55.52 71.43 1.26 Allowed Pre-proline 0 N--CA 1.468 0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 111.295 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -92.56 23.65 0.53 Allowed 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.207 2.604 . . . . 0.0 112.618 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -118.74 94.6 48.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.186 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 68.8 Cg_endo -90.91 11.04 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.853 2.369 . . . . 0.0 113.732 -175.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 44.5 mmtt 68.83 151.64 0.09 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.71 0.631 . . . . 0.0 111.359 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -140.97 146.63 37.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.431 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.507 ' HZ2' ' HA ' ' A' ' 43' ' ' HIS . 9.7 m-90 -68.48 102.95 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.484 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 m -81.89 -10.9 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.344 -177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.69 121.18 53.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD22 ' A' ' 16' ' ' LEU . 21.9 Cg_exo -65.83 167.11 18.34 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 123.303 2.669 . . . . 0.0 113.165 -177.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.47 133.2 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.648 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.17 9.15 58.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.498 -0.858 . . . . 0.0 111.386 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 HD22 ' HD2' ' A' ' 13' ' ' PRO . 59.8 tp -82.19 120.92 25.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.752 0.311 . . . . 0.0 110.405 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -75.7 122.3 23.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.957 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 68' ' ' PRO . 28.1 m -131.97 164.79 33.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.146 0.498 . . . . 0.0 111.045 -174.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -123.28 149.92 44.17 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 174.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.5 mp -82.56 113.42 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 177.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' CG ' HD22 ' A' ' 23' ' ' ASN . 30.2 p30 -81.65 168.35 18.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.126 -175.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -81.99 34.25 0.4 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.38 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.447 HD22 ' CG ' ' A' ' 21' ' ' ASN . 48.0 m-80 -101.95 -39.85 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.303 0.573 . . . . 0.0 109.827 175.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . . . -83.01 16.88 2.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.68 179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -15.43 63.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.151 -175.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -82.19 -23.23 35.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 109.891 178.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.7 -17.87 31.87 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.868 ' HB3' ' HB2' ' A' ' 31' ' ' HIS . 71.1 m -136.27 75.84 51.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.499 -0.35 . . . . 0.0 110.2 177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -63.83 111.87 1.66 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.806 2.337 . . . . 0.0 112.158 -176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.1 t60 59.2 28.27 17.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.967 0.889 . . . . 0.0 110.301 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.868 ' HB2' ' HB3' ' A' ' 28' ' ' CYS . 49.3 m170 -114.43 0.66 14.13 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.195 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.4 m -92.27 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.673 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.35 -7.08 82.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.252 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -86.09 172.01 10.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.704 ' HG2' HD21 ' A' ' 69' ' ' LEU . 3.1 mtmm -118.65 159.67 23.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.056 0.455 . . . . 0.0 111.503 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.5 -168.04 24.87 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.243 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -147.57 128.78 14.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.678 0.275 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.82 118.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.367 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.823 HG13 ' HG2' ' A' ' 40' ' ' GLU . 29.6 pt -113.5 -17.33 8.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -176.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.823 ' HG2' HG13 ' A' ' 39' ' ' ILE . 63.6 mm-40 -131.97 142.88 49.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.125 -174.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -99.27 97.47 8.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 168.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -79.78 111.93 16.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.507 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 2.4 p-80 -79.82 77.41 6.46 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.04 174.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.4 t -137.51 172.27 13.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.719 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.21 -18.91 17.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.398 0.618 . . . . 0.0 109.651 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -90.97 -56.55 3.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.748 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -117.18 142.49 46.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.756 -177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -102.83 -31.22 10.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.436 . . . . 0.0 110.582 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HE2' ' HA ' ' A' ' 63' ' ' GLU . 58.2 m-85 -135.79 151.13 49.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 111.481 -174.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -111.87 116.89 31.39 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.93 130.81 47.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.691 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.47 ' HB2' HD13 ' A' ' 39' ' ' ILE . 29.8 t -89.41 100.51 13.29 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . 4.9 m-20 -60.1 149.96 31.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.162 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -58.74 -27.56 65.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.074 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -81.72 0.68 37.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.722 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.18 -0.26 60.16 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 11.9 m-20 -81.22 169.24 17.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.561 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -134.22 104.85 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.2 m -112.37 137.86 49.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.397 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -89.98 131.49 35.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.092 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -133.62 -177.38 4.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.961 0.41 . . . . 0.0 110.771 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.632 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 31.8 tttp -122.59 168.18 12.48 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' HA ' ' HE2' ' A' ' 49' ' ' TYR . 8.7 pt-20 -53.0 -35.31 59.25 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -173.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -100.21 9.85 42.14 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.887 -173.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.632 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 5.7 mp0 -101.89 -11.47 18.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.412 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.11 144.83 43.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.548 -174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -133.97 120.86 15.45 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.815 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' HG12 ' A' ' 18' ' ' VAL . 19.3 Cg_endo -58.64 148.42 82.24 Favored 'Trans proline' 0 C--O 1.236 0.413 0 C-N-CA 122.777 2.318 . . . . 0.0 112.479 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 35' ' ' LYS . 85.3 mt -65.91 150.41 48.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 110.6 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -86.42 76.11 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.377 -167.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.66 2.33 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 113.458 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 122.62 -39.66 2.22 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 57.43 31.24 19.9 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.037 0.535 . . . . 0.0 111.789 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.38 -9.02 58.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.981 0.419 . . . . 0.0 110.988 178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -80.47 67.01 6.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -135.86 -2.65 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.655 0.74 . . . . 0.0 109.792 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -79.92 80.51 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.132 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.64 122.39 8.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -126.81 12.67 7.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.823 0.344 . . . . 0.0 110.502 -177.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 74.16 -61.17 0.5 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.576 176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -134.05 93.01 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 111.159 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -152.21 -57.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.024 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -99.15 -17.81 17.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.633 0.73 . . . . 0.0 109.23 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.8 t60 . . . . . 0 C--O 1.245 0.83 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.666 176.206 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.877 0.37 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.01 24.46 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.418 0.628 . . . . 0.0 110.21 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.47 154.57 10.56 Favored Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.361 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 21.1 t70 -80.32 108.85 10.58 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 62.9 Cg_endo -101.2 16.05 0.35 Allowed 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 123.474 2.783 . . . . 0.0 113.537 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 60.5 tp -53.42 106.08 0.61 Allowed Pre-proline 0 N--CA 1.469 0.502 0 O-C-N 123.688 0.617 . . . . 0.0 111.586 -175.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 6' ' ' LEU . 96.6 Cg_endo -100.08 -0.21 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.238 2.626 . . . . 0.0 113.811 -175.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -120.76 123.43 42.63 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.639 -176.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -126.12 -79.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.798 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.476 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 3.6 m-90 -132.09 114.33 14.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.572 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -91.1 -36.05 14.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.49 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.5 m-85 -94.78 124.81 53.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.006 -175.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 16.0 Cg_exo -68.16 165.24 29.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.053 2.502 . . . . 0.0 112.543 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.7 t -74.71 138.67 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.266 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.2 55.01 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.15 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 68' ' ' PRO . 52.6 tp -88.63 128.89 35.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 0.0 110.537 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.21 130.28 35.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.404 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG21 HD13 ' A' ' 66' ' ' LEU . 20.1 m -136.29 144.53 32.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.494 -176.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -101.71 146.18 28.11 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.96 127.99 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -135.89 170.89 15.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -171.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 53.86 38.66 29.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.964 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 9.7 p30 52.12 11.09 0.14 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.742 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' CYS . . . 64.57 -46.49 0.32 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.068 0.947 . . . . 0.0 113.018 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 69.89 -71.36 0.13 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.588 0.755 . . . . 0.0 111.689 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -114.66 92.65 4.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.921 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.68 -48.5 0.59 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.83 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.603 ' HB2' ' HE1' ' A' ' 61' ' ' PHE . 11.9 t -149.49 84.4 6.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.55 109.22 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.106 2.537 . . . . 0.0 113.61 -172.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.2 t60 59.31 70.34 0.65 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.66 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' HB3' ' HD3' ' A' ' 34' ' ' ARG . 90.5 m-70 -140.46 34.98 1.85 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.684 174.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.528 ' CG2' ' HA ' ' A' ' 23' ' ' ASN . 61.4 t -69.59 138.55 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.764 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.43 -22.01 23.06 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.598 ' HD3' ' HB3' ' A' ' 31' ' ' HIS . 30.8 mtp180 -79.31 119.64 22.65 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 9.7 mtmp? -103.0 141.6 35.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.107 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.18 -177.52 15.02 Favored Glycine 0 N--CA 1.439 -1.127 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.358 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 37' ' ' LYS . 33.4 ttpt -136.63 121.61 18.87 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.2 mt -63.98 122.43 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.014 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.57 -19.48 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 33.5 tt0 -149.09 139.09 22.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.99 0.424 . . . . 0.0 110.924 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.476 ' HB3' ' CE2' ' A' ' 10' ' ' TRP . 43.4 m170 -88.84 117.26 27.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 174.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 50' ' ' ALA . 79.9 mt -85.34 135.55 33.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.586 -176.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -87.62 17.22 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.051 0.453 . . . . 0.0 110.457 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.3 t -84.67 174.05 10.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.118 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.68 -9.83 13.69 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.39 -39.46 12.66 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.567 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -132.49 127.46 35.25 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -85.82 -31.41 22.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -133.76 154.02 51.28 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.284 0.564 . . . . 0.0 112.384 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.19 115.94 30.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.89 130.86 65.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.448 -171.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 p -83.85 103.12 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.543 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.27 158.83 8.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.645 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 25.7 tt0 -57.68 -25.38 60.19 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.782 0.433 . . . . 0.0 111.601 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.9 p -79.93 -9.24 59.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.033 0.444 . . . . 0.0 111.341 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.24 -3.52 61.86 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.302 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.35 136.33 36.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.49 0.186 . . . . 0.0 110.583 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.8 mt -88.2 109.82 20.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.928 0.394 . . . . 0.0 110.191 178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 5.9 m -116.75 145.25 43.61 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -92.57 133.63 35.77 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' HE1' ' HB2' ' A' ' 28' ' ' CYS . 91.6 m-85 -136.23 171.66 14.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.965 0.412 . . . . 0.0 110.275 -178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.511 ' HB2' ' OE1' ' A' ' 65' ' ' GLU . 24.1 mtpp -106.55 -178.09 3.55 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 172.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.73 3.81 20.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 176.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -92.02 -40.31 11.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.393 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.511 ' OE1' ' HB2' ' A' ' 62' ' ' LYS . 16.9 mp0 -82.17 -13.41 57.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.4 -174.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 18' ' ' VAL . 60.6 mt -107.07 137.84 44.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.173 0.511 . . . . 0.0 112.128 -171.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.5 m -123.5 124.8 26.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.876 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HB3' HD21 ' A' ' 16' ' ' LEU . 22.8 Cg_exo -64.51 131.9 31.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 123.167 2.578 . . . . 0.0 112.552 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -92.2 27.63 2.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.475 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -89.38 97.78 11.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.091 -176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.3 -45.46 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.308 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.76 -123.18 7.76 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.967 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.4 mt -111.67 102.43 10.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 110.325 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.45 85.76 2.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.797 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -131.2 -61.05 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 65.7 t 69.04 108.45 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.839 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.2 tp -91.83 148.31 22.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.79 177.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.4 124.18 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 110.107 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 81' ' ' HIS . 5.7 p80 -96.51 48.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.472 0.654 . . . . 0.0 111.258 -175.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -97.62 -4.16 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.008 171.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 82' ' ' HIS . 5.7 p80 -79.22 43.11 0.51 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.397 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 81' ' ' HIS . 44.3 m-70 70.68 169.7 0.31 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.741 -170.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 63.01 72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.478 . . . . 0.0 110.092 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.875 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.46 94.65 2.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.078 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.25 37.11 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.38 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -134.76 95.74 15.43 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 72.1 Cg_endo -78.76 -31.73 2.34 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.477 2.118 . . . . 0.0 113.378 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 11.0 mp 68.14 128.61 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 O-C-N 123.688 0.617 . . . . 0.0 111.154 -174.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.66 109.81 0.57 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.885 2.39 . . . . 0.0 111.688 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -93.64 143.79 25.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.508 0.67 . . . . 0.0 112.624 -174.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -108.65 106.12 16.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 164.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -57.44 117.31 4.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.296 0.57 . . . . 0.0 111.991 -173.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -81.82 -23.69 36.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.94 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 97.5 m-85 -95.75 109.58 46.89 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.896 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HD2' HD22 ' A' ' 16' ' ' LEU . 92.8 Cg_endo -80.82 168.13 17.82 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.877 2.385 . . . . 0.0 113.104 -177.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.3 140.01 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.986 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.22 24.76 35.93 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.172 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD22 ' HD2' ' A' ' 13' ' ' PRO . 52.9 tp -107.84 124.33 49.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.67 124.67 30.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.563 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 68' ' ' PRO . 26.8 m -133.91 148.51 30.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.69 122.67 41.04 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 170.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.721 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.8 mp -72.71 136.8 24.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.762 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 3.4 p30 -135.13 70.33 1.44 Allowed 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.92 ' HA ' ' HG2' ' A' ' 65' ' ' GLU . 28.4 t-20 -66.55 82.18 0.1 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t30 75.52 -30.4 0.19 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.635 -173.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . . . 61.17 3.94 0.79 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 27.6 tpt180 47.88 -98.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.759 0.424 . . . . 0.0 110.015 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -153.74 88.54 1.27 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.23 -19.93 19.85 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.529 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 15.3 p -165.3 113.86 0.83 Allowed Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.7 ' HG3' ' HA ' ' A' ' 24' ' ' ALA . 39.3 Cg_endo -89.08 -156.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.137 2.558 . . . . 0.0 112.32 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -84.52 78.23 9.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.817 0.341 . . . . 0.0 110.816 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.2 m170 67.22 -21.8 0.11 Allowed 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 22' ' ' ASN . 6.9 m -68.14 166.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 171.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.721 ' HA2' ' O ' ' A' ' 20' ' ' ILE . . . 118.18 23.18 3.61 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.173 -1.013 . . . . 0.0 110.94 -173.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -70.44 150.36 46.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.349 -0.425 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -100.86 99.15 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.89 -178.59 15.77 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.405 -174.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -130.24 129.56 43.48 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' TYR . 59.8 mt -66.01 132.42 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.222 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -119.8 -30.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 42.2 tt0 -141.82 143.21 33.28 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.648 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.76 130.78 39.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -112.5 134.25 54.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.076 0.465 . . . . 0.0 110.989 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -100.72 89.64 3.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.532 0.682 . . . . 0.0 109.668 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.541 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 44.3 t -151.07 -179.52 7.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.425 -175.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.32 4.16 9.72 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 m -120.49 -30.78 4.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.831 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 44' ' ' SER . 66.5 m-85 -148.62 115.59 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.64 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.3 m-20 -104.2 -16.61 15.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.731 0.3 . . . . 0.0 111.391 -168.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.777 ' HE2' ' HB3' ' A' ' 63' ' ' GLU . 94.7 m-85 -144.18 153.17 41.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.246 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -109.72 118.11 35.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.357 174.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -111.9 133.26 58.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -174.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -96.64 107.27 19.69 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -69.82 148.71 48.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 -176.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.75 -20.55 35.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.661 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.4 t -70.54 -17.98 62.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.365 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.99 7.1 33.71 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.213 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.2 160.87 13.99 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.6 mt -122.65 114.75 43.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.547 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -124.48 142.69 51.12 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.887 0.375 . . . . 0.0 110.645 -175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' HB3' ' HB3' ' A' ' 47' ' ' TYR . 6.6 m-30 -89.54 140.71 29.27 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 82.4 m-85 -143.37 175.64 9.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -176.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.64 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 21.4 ttmm -113.51 155.34 25.54 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.061 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.777 ' HB3' ' HE2' ' A' ' 49' ' ' TYR . 8.1 pt-20 -57.96 -19.72 32.5 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.745 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -75.26 -25.91 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.479 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.92 ' HG2' ' HA ' ' A' ' 22' ' ' ASN . 10.1 mp0 -111.82 30.58 6.88 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.132 -177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 91.5 mt -121.31 120.92 36.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.751 0.31 . . . . 0.0 111.539 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.1 m -124.73 109.32 28.21 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 31.6 Cg_endo -63.98 144.77 88.72 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.829 2.353 . . . . 0.0 112.848 -177.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.38 111.46 4.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.643 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -101.1 105.29 16.44 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.363 0.601 . . . . 0.0 110.411 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.46 -27.27 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.351 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.55 20.29 30.08 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.895 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.1 tt -78.8 -68.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.95 21.76 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.754 -178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -86.54 -31.15 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.442 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.659 HG22 ' H ' ' A' ' 78' ' ' GLU . 12.0 p -124.82 128.49 73.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.251 0.548 . . . . 0.0 110.869 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.92 21.0 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.659 ' H ' HG22 ' A' ' 76' ' ' VAL . 30.5 tt0 -69.32 110.7 4.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.208 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -59.95 114.47 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.294 0.569 . . . . 0.0 110.416 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -88.33 75.77 8.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.9 -175.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 52.65 78.73 0.13 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.591 174.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -136.89 105.06 5.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.347 0.594 . . . . 0.0 112.335 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -107.8 -17.16 14.14 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 162.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 . . . . . 0 C--O 1.242 0.686 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.938 173.088 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.79 0.328 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.07 107.4 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.548 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.23 -74.42 0.53 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.558 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 34.8 m-20 -134.13 144.3 50.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 122.749 -0.265 . . . . 0.0 110.809 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 14.6 Cg_exo -70.48 113.3 3.45 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.841 2.361 . . . . 0.0 111.824 176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' HG ' ' HD2' ' A' ' 7' ' ' PRO . 16.2 tp -104.64 146.75 33.22 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.464 ' HD2' ' HG ' ' A' ' 6' ' ' LEU . 63.0 Cg_exo -40.32 132.44 2.28 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.313 2.675 . . . . 0.0 112.539 175.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -72.09 144.26 48.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.6 . . . . 0.0 111.676 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 10' ' ' TRP . 80.0 t80 -171.89 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.369 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 24.8 m-90 69.93 95.89 0.07 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.551 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.4 m -54.7 -23.87 19.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.154 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.852 ' HE1' ' HD3' ' A' ' 68' ' ' PRO . 94.8 m-85 -102.53 105.77 45.74 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-O 120.933 0.396 . . . . 0.0 110.28 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.57 166.8 28.28 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 123.132 2.555 . . . . 0.0 112.27 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.62 129.68 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.85 11.72 49.18 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.126 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.6 tp -91.32 130.29 37.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.777 0.323 . . . . 0.0 110.224 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.66 120.41 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.038 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.7 m -129.62 166.92 26.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.358 0.599 . . . . 0.0 111.066 -176.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 67' ' ' THR . 15.2 pt-20 -115.19 137.58 51.86 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.939 173.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 34' ' ' ARG . 2.9 mp -78.95 124.58 37.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.6 p-10 -130.65 37.75 3.79 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.81 ' HA ' ' HB3' ' A' ' 65' ' ' GLU . 5.0 t30 -50.69 85.92 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.982 1.426 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ASN . 92.7 m-20 58.84 22.33 10.06 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.447 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.764 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . . . -52.48 -36.25 54.52 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -99.89 -8.31 24.19 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.108 -175.29 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -161.77 98.38 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.648 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.47 -46.69 1.07 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.54 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.5 m -137.79 69.7 51.3 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 82.3 Cg_endo -75.96 137.85 20.12 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.923 2.415 . . . . 0.0 112.632 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 63.79 27.89 14.69 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.6 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -126.58 -39.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.185 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.764 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . 4.3 t -100.21 139.47 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.107 0.479 . . . . 0.0 111.247 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.99 73.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.738 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 7.2 tpt180 -125.88 146.67 49.73 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.63 -0.285 . . . . 0.0 110.884 -169.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 37.4 mttp -102.22 139.77 37.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.67 170.97 31.82 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.177 -1.011 . . . . 0.0 113.16 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.522 ' HB3' ' OG ' ' A' ' 52' ' ' SER . 20.4 tptm -130.37 118.94 21.98 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.1 mt -74.95 119.88 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.559 0.218 . . . . 0.0 110.602 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 ' HG3' ' A' ' 40' ' ' GLU . 22.0 pt -116.48 -26.15 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.576 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 42.3 mt-10 -136.11 153.98 51.14 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.054 -175.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -113.8 111.13 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.062 173.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 60' ' ' TYR . 42.7 mt -89.03 -45.23 9.79 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 10.5 t-80 68.13 91.99 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.804 0.69 . . . . 0.0 109.746 -171.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.723 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 30.5 t -157.04 151.18 24.95 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.468 -177.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.4 -21.36 64.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -172.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -108.95 -36.44 6.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.988 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' O ' ' HB3' ' A' ' 44' ' ' SER . 16.8 p90 -144.5 116.4 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.224 0.535 . . . . 0.0 111.393 -177.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 20.4 m-20 -101.17 -10.71 20.16 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.027 -0.421 . . . . 0.0 111.629 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.745 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 42.2 m-85 -128.81 142.88 50.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.762 0.315 . . . . 0.0 111.245 -175.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -105.82 123.68 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 172.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.72 124.22 71.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.07 -172.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 37' ' ' LYS . 35.9 p -85.22 104.83 15.44 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.18 164.22 3.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.975 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 35' ' ' LYS . 14.7 pt-20 -63.8 -16.07 60.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.631 175.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.3 p -88.51 -7.75 56.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.222 178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.94 0.13 66.45 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.1 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.31 150.32 21.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -99.61 112.4 31.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.938 0.399 . . . . 0.0 111.292 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 33.7 p -101.98 170.99 7.77 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.245 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' CD1' HD11 ' A' ' 42' ' ' LEU . 73.5 m-85 -134.27 114.52 13.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.792 0.33 . . . . 0.0 110.196 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.04 174.3 10.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.058 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.602 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 34.4 tttp -104.87 164.2 11.95 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.745 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.0 pt-20 -64.59 -29.37 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -172.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -69.27 -35.18 75.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.399 0.618 . . . . 0.0 110.208 -174.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.81 ' HB3' ' HA ' ' A' ' 22' ' ' ASN . 19.9 mp0 -86.14 8.42 21.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.356 -177.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.0 mt -120.9 135.47 55.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.9 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.44 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 54.1 m -135.07 130.67 19.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.852 ' HD3' ' HE1' ' A' ' 12' ' ' TYR . 42.9 Cg_endo -67.25 148.47 80.37 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.269 1.979 . . . . 0.0 112.521 -175.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.81 111.9 5.18 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -104.5 173.66 6.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.539 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.97 -43.63 1.66 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.85 -110.53 3.19 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.167 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 tp -159.82 -85.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.517 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.1 45.63 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.327 0.584 . . . . 0.0 110.153 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -102.28 86.6 2.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.298 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.0 t -132.22 -60.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.964 -177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tt 59.61 83.36 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.672 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 78' ' ' GLU . 0.2 OUTLIER -74.14 -36.03 64.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.725 -175.131 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 56.91 41.03 28.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.407 0.623 . . . . 0.0 110.574 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -101.26 133.38 45.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -111.77 153.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -64.84 104.65 0.87 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -171.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 t60 41.61 77.05 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 114.817 -1.083 . . . . 0.0 113.281 170.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.8 t60 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.7 -0.667 . . . . 0.0 111.564 174.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 121.172 0.51 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.87 -30.27 2.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.957 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.0 -81.74 0.35 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.778 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 27.4 t70 -121.38 123.57 27.6 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 4' ' ' ASP . 39.6 Cg_exo -60.95 156.0 46.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.302 2.668 . . . . 0.0 113.419 -174.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 95.8 mt -84.5 145.52 45.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 6' ' ' LEU . 13.4 Cg_exo -71.06 19.3 0.23 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.44 2.76 . . . . 0.0 113.698 -176.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -69.64 -32.48 71.18 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.565 0.698 . . . . 0.0 109.307 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -114.95 133.66 55.82 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.481 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' CE2' ' HB3' ' A' ' 41' ' ' HIS . 31.7 m-90 -61.35 123.54 18.06 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.405 0.441 . . . . 0.0 111.855 -174.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m -70.88 -31.53 68.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.492 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.505 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . 5.7 m-85 -102.51 134.69 19.8 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -176.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD2' HD22 ' A' ' 16' ' ' LEU . 88.7 Cg_endo -85.67 179.66 3.78 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.091 2.527 . . . . 0.0 112.971 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.14 140.68 15.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.199 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.4 12.08 63.5 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.1 tp -91.71 127.51 37.19 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -81.68 130.64 35.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.317 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 68' ' ' PRO . 25.4 m -139.87 153.19 22.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.608 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 37.3 mt-10 -107.47 149.27 28.14 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 34' ' ' ARG . 2.0 mp -67.76 125.57 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -76.09 166.36 23.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.364 -171.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -79.73 28.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.81 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -119.16 -23.25 6.86 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.097 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.66 33.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.659 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -84.26 -11.47 56.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -86.15 125.24 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.235 175.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.4 -56.5 2.38 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.742 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 67.4 m -124.01 84.31 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.951 0.405 . . . . 0.0 110.186 177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.06 34.13 0.45 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.986 2.458 . . . . 0.0 113.634 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.9 27.87 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.686 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -111.94 3.48 17.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -81.18 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.562 -177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.63 11.25 59.51 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.657 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HB3' HD13 ' A' ' 20' ' ' ILE . 18.2 tpt180 -94.52 145.5 24.76 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HG2' ' HG2' ' A' ' 19' ' ' GLU . 41.4 mttp -100.9 149.8 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.575 0.226 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.69 -172.36 30.05 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.305 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -145.22 138.53 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.537 0.208 . . . . 0.0 110.54 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.3 mt -75.18 120.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.49 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 52' ' ' SER . 36.5 pt -121.99 -0.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.88 156.97 25.81 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.427 ' HE1' ' O ' ' A' ' 12' ' ' TYR . 89.6 m-70 -108.5 128.7 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.383 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -123.86 169.14 11.88 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.426 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -151.07 95.24 2.16 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 170.758 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -142.99 168.95 18.49 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.583 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.36 -8.38 59.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.11 0.481 . . . . 0.0 110.408 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 p -109.55 -36.15 6.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.198 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.741 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -158.46 149.84 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' OD1' ' HA ' ' A' ' 43' ' ' HIS . 52.4 m-20 -124.47 2.89 8.38 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.702 0.287 . . . . 0.0 111.46 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 63' ' ' GLU . 96.5 m-85 -142.92 141.42 31.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 -178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.43 111.18 23.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -106.8 123.91 62.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.734 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.483 ' HB3' HD13 ' A' ' 39' ' ' ILE . 78.2 p -87.3 111.24 20.86 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.03 165.05 2.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.207 0.527 . . . . 0.0 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.22 -11.33 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.305 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -104.22 0.79 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.47 12.6 60.97 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.664 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -87.0 119.06 26.81 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -82.87 106.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.812 0.339 . . . . 0.0 110.712 -176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -120.76 138.66 53.89 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.453 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 5.0 m-85 -97.98 135.53 39.55 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.48 -174.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.76 169.12 18.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.919 0.39 . . . . 0.0 110.514 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.741 ' HG3' ' HA ' ' A' ' 47' ' ' TYR . 59.2 mttm -97.16 156.83 16.22 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 169.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 7.8 pt-20 -60.14 -21.03 61.11 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -70.22 -22.28 62.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.547 177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -99.79 15.3 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.723 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.5 mt -127.37 142.02 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.0 111.355 -175.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 25.9 m -116.18 120.68 34.79 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.296 173.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.519 ' HA ' HG12 ' A' ' 18' ' ' VAL . 7.5 Cg_exo -70.65 132.26 21.55 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.783 2.322 . . . . 0.0 112.635 -176.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD21 ' HG3' ' A' ' 19' ' ' GLU . 74.8 mt -81.07 166.03 21.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.028 175.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 97.8 mttt 70.32 -67.71 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.581 0.551 . . . . 0.0 110.039 -172.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 59.21 10.38 9.91 Favored Glycine 0 CA--C 1.519 0.322 0 CA-C-N 115.378 -0.828 . . . . 0.0 114.627 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.06 50.15 70.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.061 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 70' ' ' LYS . 85.5 mt -71.68 7.91 1.32 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 67.49 6.64 5.06 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.064 0.545 . . . . 0.0 111.853 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -91.08 6.3 45.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.766 0.793 . . . . 0.0 109.469 176.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.8 t -83.28 102.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.66 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.31 145.99 47.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -63.05 92.72 0.05 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.777 0.322 . . . . 0.0 111.242 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.5 m80 67.87 -87.78 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.229 178.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.8 t60 51.36 43.34 29.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.361 0.6 . . . . 0.0 109.99 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -78.77 0.14 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.882 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -93.35 82.73 4.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.243 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -120.42 15.87 12.13 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.748 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ppp? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.591 0.234 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.74 22.22 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.926 0.393 . . . . 0.0 110.284 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.67 90.9 2.18 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.6 116.11 8.28 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 123.933 0.431 . . . . 0.0 111.88 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.27 -159.43 0.09 OUTLIER 'Trans proline' 0 CA--C 1.528 0.188 0 C-N-CA 123.087 2.525 . . . . 0.0 112.35 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp 65.78 92.33 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.263 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.358 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.78 76.27 0.59 Allowed 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.07 2.513 . . . . 0.0 112.786 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -103.24 7.1 38.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.832 175.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -129.11 -166.62 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.083 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.534 ' CD1' ' HB2' ' A' ' 41' ' ' HIS . 9.0 m-90 -64.12 134.08 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.814 -174.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -86.61 -24.02 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 -178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 89.3 m-85 -107.14 135.21 19.64 Favored Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.806 -177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 5.3 Cg_exo -79.33 173.51 13.15 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.922 2.415 . . . . 0.0 112.915 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.64 134.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.352 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.81 1.44 45.96 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.064 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -82.86 127.25 33.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.817 0.341 . . . . 0.0 110.735 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.11 123.85 30.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.199 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.522 HG12 ' HA ' ' A' ' 68' ' ' PRO . 29.8 m -134.52 159.27 41.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -175.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' HB3' HD21 ' A' ' 69' ' ' LEU . 11.0 pt-20 -105.64 152.87 22.58 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 169.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.487 HG12 ' CE2' ' A' ' 61' ' ' PHE . 4.0 mp -91.38 128.53 43.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 65' ' ' GLU . 3.7 m-20 -75.6 142.31 42.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.364 -176.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -77.7 48.95 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.321 -169.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.673 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -109.63 -8.61 14.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.183 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 92.59 0.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.452 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -96.49 -1.73 46.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 174.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -128.85 152.22 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.933 -1.031 . . . . 0.0 108.893 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.66 -60.34 4.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.323 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.5 p -134.9 71.34 69.86 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.518 . . . . 0.0 110.02 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.8 110.19 0.71 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.113 2.542 . . . . 0.0 113.068 -173.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 73.2 t60 64.62 25.76 13.16 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -120.8 26.7 8.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.65 177.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG12 ' H ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -90.14 -171.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.742 -172.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.653 ' H ' HG12 ' A' ' 32' ' ' VAL . . . 75.28 33.63 53.15 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -114.3 167.38 10.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -105.1 137.3 43.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.08 0.466 . . . . 0.0 110.919 -175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.41 -168.38 14.86 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.007 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -145.44 142.6 29.43 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.74 112.3 13.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 pp -97.79 -15.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.436 . . . . 0.0 111.06 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -172.71 150.46 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.534 ' HB2' ' CD1' ' A' ' 10' ' ' TRP . 1.4 p-80 -105.58 132.48 51.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.223 0.535 . . . . 0.0 110.458 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.0 mt -91.67 146.41 23.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.556 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -88.35 55.65 3.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 32.4 t -119.85 159.89 23.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.237 -178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.87 -23.72 18.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.6 p -87.5 -46.01 9.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.164 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' O ' ' HB3' ' A' ' 44' ' ' SER . 78.2 m-85 -135.11 122.04 21.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.489 ' OD2' ' HG3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -99.13 -9.12 24.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -170.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.739 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 84.7 m-85 -136.67 150.82 48.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.862 -0.524 . . . . 0.0 111.58 -177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.4 113.15 25.39 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.8 122.35 56.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 p -84.13 104.85 14.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.388 174.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD1' HG22 ' A' ' 55' ' ' THR . 16.7 t70 -73.39 156.5 38.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.429 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -59.62 -20.48 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.949 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' OD1' ' A' ' 53' ' ' ASP . 10.4 t -79.64 -9.82 59.69 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.491 0.186 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.4 18.11 37.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.515 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -104.03 132.33 50.39 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.02 100.37 11.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 4.1 m -105.3 142.71 34.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.923 0.392 . . . . 0.0 110.016 -178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -94.88 126.37 40.16 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CE2' HG12 ' A' ' 20' ' ' ILE . 64.0 m-85 -132.97 173.45 11.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.195 0.522 . . . . 0.0 111.356 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 53.4 tttp -120.96 159.36 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.307 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.739 ' HG2' ' HE1' ' A' ' 49' ' ' TYR . 38.0 mt-10 -51.11 -30.36 16.04 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.815 0.34 . . . . 0.0 111.641 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -56.09 -29.79 61.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.995 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.673 ' HG2' ' HB2' ' A' ' 23' ' ' ASN . 6.5 mt-10 -127.69 29.59 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.1 mt -130.85 136.33 48.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.77 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 65.5 m -138.72 127.41 14.08 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.38 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.522 ' HA ' HG12 ' A' ' 18' ' ' VAL . 18.8 Cg_endo -60.25 145.83 97.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.909 2.406 . . . . 0.0 112.783 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 19' ' ' GLU . 97.2 mt -81.01 68.62 7.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -178.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -172.5 141.68 1.18 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.03 0.532 . . . . 0.0 110.422 174.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.69 59.14 4.61 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.837 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.54 -135.12 38.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.921 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.55 19.11 18.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.543 0.211 . . . . 0.0 111.055 -176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.41 38.96 0.25 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.965 0.412 . . . . 0.0 111.833 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -129.2 -45.05 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.078 0.466 . . . . 0.0 110.282 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -88.69 85.85 2.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.4 mt -92.76 91.83 7.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.666 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -141.93 109.8 5.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.736 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -65.46 124.02 21.18 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.447 ' HD2' ' HB2' ' A' ' 82' ' ' HIS . 15.4 t60 -59.17 139.66 56.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.861 -171.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -83.75 26.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.659 -171.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 80' ' ' HIS . 25.4 t60 -84.7 71.46 10.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.067 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -170.91 110.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.34 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.3 m80 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.425 176.149 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.839 0.352 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.89 121.5 2.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.576 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.76 108.56 3.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.267 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -125.29 78.47 67.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.422 0.63 . . . . 0.0 110.953 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -91.78 -173.08 0.47 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.882 2.388 . . . . 0.0 111.928 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.3 tp -135.29 83.94 36.88 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.242 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.57 139.86 28.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.041 2.494 . . . . 0.0 111.522 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -119.57 -72.62 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.854 0.359 . . . . 0.0 111.46 -177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 10' ' ' TRP . 77.3 m-85 -106.25 -14.74 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -169.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.468 ' HD1' ' CG ' ' A' ' 41' ' ' HIS . 19.9 m95 62.66 -155.96 0.34 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -172.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.417 ' H ' ' HB3' ' A' ' 10' ' ' TRP . 53.5 m -98.05 -18.25 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.956 0.407 . . . . 0.0 110.405 176.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.504 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 59.3 m-85 -127.58 134.25 25.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.692 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 8.5 Cg_exo -71.34 174.29 11.04 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.989 2.46 . . . . 0.0 112.863 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.19 143.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.458 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.54 10.58 70.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.068 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' HD2' ' A' ' 13' ' ' PRO . 61.0 tp -89.96 123.71 34.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.668 0.27 . . . . 0.0 110.602 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB1' HD12 ' A' ' 69' ' ' LEU . . . -82.09 130.04 34.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.946 176.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 68' ' ' PRO . 21.0 m -135.3 153.66 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.26 0.552 . . . . 0.0 112.297 -173.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.6 mm-40 -96.1 120.24 36.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.605 169.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.564 HD11 HG11 ' A' ' 51' ' ' VAL . 3.4 mp -81.67 130.14 36.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.714 0.293 . . . . 0.0 110.374 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.525 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 7.8 p30 -126.48 25.98 6.42 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -177.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.689 ' HA ' ' HG2' ' A' ' 65' ' ' GLU . 27.7 t-20 -62.86 80.78 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.067 -1.424 . . . . 0.0 108.973 174.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 23.7 t-20 85.8 35.12 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.352 -1.749 . . . . 0.0 109.054 178.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.858 ' HA ' ' HB3' ' A' ' 29' ' ' PRO . . . -62.47 99.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.52 170.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.73 ' H ' ' HA ' ' A' ' 29' ' ' PRO . 16.4 mmm180 -80.52 78.75 7.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.683 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 61.27 -89.12 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.855 177.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.93 15.5 10.32 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.628 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 11.6 p -168.71 92.29 0.6 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.194 0.521 . . . . 0.0 109.732 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.858 ' HB3' ' HA ' ' A' ' 24' ' ' ALA . 6.8 Cg_exo -73.86 -172.21 1.05 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.662 2.241 . . . . 0.0 112.19 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -74.05 58.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.729 176.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.8 m80 64.71 21.75 12.45 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.709 0.766 . . . . 0.0 110.318 -174.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.798 HG12 ' H ' ' A' ' 33' ' ' GLY . 2.3 t -97.81 -159.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.647 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.798 ' H ' HG12 ' A' ' 32' ' ' VAL . . . 82.63 46.88 6.19 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -175.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -102.86 151.85 21.95 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.796 -0.702 . . . . 0.0 110.047 -176.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 31.9 mttp -102.36 119.91 39.61 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 172.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -142.17 -173.67 14.32 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.04 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -134.77 135.13 41.63 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.597 0.237 . . . . 0.0 110.435 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 49' ' ' TYR . 70.2 mt -72.79 111.37 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.752 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.9 pt -106.4 -13.87 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.917 0.389 . . . . 0.0 111.371 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 2.0 mm-40 -148.91 141.34 24.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.165 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CG ' ' HD1' ' A' ' 10' ' ' TRP . 58.6 m170 -95.1 128.73 42.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.1 mt -94.6 179.0 5.41 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -139.57 33.01 2.04 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.419 0.628 . . . . 0.0 109.493 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.1 t -96.94 164.29 12.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.07 -14.73 33.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.011 0.434 . . . . 0.0 109.972 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -94.8 -37.89 11.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -134.12 140.76 46.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.04 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -104.24 -28.83 11.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 0.0 111.189 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.543 ' HE2' ' CB ' ' A' ' 63' ' ' GLU . 49.1 m-85 -136.03 162.64 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 111.404 -175.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 40' ' ' GLU . . . -115.96 119.91 37.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.235 173.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.564 HG11 HD11 ' A' ' 20' ' ' ILE . 87.2 t -116.02 130.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -173.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m -94.78 112.32 24.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.11 173.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -76.23 173.28 11.56 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.648 -175.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 35' ' ' LYS . 43.1 mt-10 -55.72 -38.03 69.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.068 176.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -70.45 -5.37 28.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.243 0.544 . . . . 0.0 110.162 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.72 8.15 83.22 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.551 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -77.51 139.44 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.567 0.223 . . . . 0.0 110.421 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.19 101.51 12.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.451 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 3.2 m -114.09 143.6 44.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.075 -176.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -93.94 137.78 32.78 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 78.6 m-85 -139.81 171.44 14.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 -178.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 23.2 mttm -103.96 162.88 12.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.052 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.543 ' CB ' ' HE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.85 -14.73 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.349 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.27 -23.93 37.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.551 -175.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 22' ' ' ASN . 5.0 mp0 -113.39 19.47 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.625 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 85.7 mt -114.71 118.86 34.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.852 0.358 . . . . 0.0 111.002 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.7 m -115.05 119.78 38.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.365 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HA ' HG12 ' A' ' 18' ' ' VAL . 42.2 Cg_exo -56.82 136.43 76.38 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.754 2.303 . . . . 0.0 112.082 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD12 ' HB1' ' A' ' 17' ' ' ALA . 61.5 mt -70.43 98.35 1.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.039 0.447 . . . . 0.0 111.287 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -130.45 125.96 35.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.368 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.3 37.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.015 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.13 -81.72 1.17 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.305 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.4 tp 178.04 -73.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.42 10.75 0.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.896 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -116.0 90.6 3.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.603 -175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.78 6.84 2.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.881 0.848 . . . . 0.0 109.413 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 77' ' ' LEU . 5.4 mp -86.04 -37.29 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.094 -175.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.905 ' HG2' ' H ' ' A' ' 79' ' ' HIS . 0.7 OUTLIER -101.31 -80.44 0.49 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.409 -175.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.905 ' H ' ' HG2' ' A' ' 78' ' ' GLU . 35.7 t-80 53.83 -96.77 0.06 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.977 0.511 . . . . 0.0 110.502 -173.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 168.11 155.91 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -121.69 171.08 9.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -69.92 -36.86 75.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.702 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -114.48 -175.01 2.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.834 177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.6 p80 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.585 175.688 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.9 127.35 53.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 5' ' ' PRO . . . 90.58 5.96 68.53 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.209 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -110.54 92.94 15.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.107 0.454 . . . . 0.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.569 ' HD2' HD12 ' A' ' 6' ' ' LEU . 74.1 Cg_endo -95.77 25.63 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.482 2.788 . . . . 0.0 112.224 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.569 HD12 ' HD2' ' A' ' 5' ' ' PRO . 6.9 mp -82.8 136.0 45.1 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.766 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -70.81 105.48 1.66 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.588 2.192 . . . . 0.0 112.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -115.97 -70.74 0.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.298 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 56.8 90.04 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.046 0.841 . . . . 0.0 112.383 173.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 65.87 116.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.265 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.2 p -88.48 -25.48 22.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.66 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -103.22 138.45 19.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' HD22 ' A' ' 16' ' ' LEU . 87.1 Cg_endo -83.57 177.55 6.24 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.957 2.438 . . . . 0.0 112.845 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG23 ' CE1' ' A' ' 41' ' ' HIS . 89.4 t -87.8 139.18 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.287 177.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.5 35.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.801 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 HD22 ' HD2' ' A' ' 13' ' ' PRO . 56.1 tp -107.86 127.77 54.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.495 0.188 . . . . 0.0 110.626 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.68 124.03 31.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.06 0.457 . . . . 0.0 110.338 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 29.4 m -125.59 161.12 30.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.376 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' HG ' ' A' ' 69' ' ' LEU . 49.1 mt-10 -102.92 146.92 27.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.898 0.38 . . . . 0.0 110.292 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -80.52 119.42 30.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.806 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -87.37 -176.78 5.76 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.031 0.444 . . . . 0.0 110.837 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -83.25 28.0 0.55 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.234 0.54 . . . . 0.0 112.252 -170.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -96.12 -25.38 15.89 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.63 26.48 3.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.138 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -69.53 -19.84 63.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.279 0.562 . . . . 0.0 110.497 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.13 153.11 23.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.708 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.69 -48.73 3.76 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.385 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 p -142.8 94.64 6.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.49 163.18 27.24 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.411 2.074 . . . . 0.0 111.537 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 39.9 m80 64.15 24.17 13.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.818 0.818 . . . . 0.0 109.457 -174.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 20.9 t-80 -128.88 4.86 5.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.473 -176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.24 142.54 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.68 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.93 14.29 81.81 Favored Glycine 0 N--CA 1.452 -0.273 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HD3' ' CD2' ' A' ' 31' ' ' HIS . 20.3 ttt180 -89.51 164.25 14.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.232 -0.484 . . . . 0.0 109.801 -175.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -115.74 120.51 39.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -130.9 150.5 19.37 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.684 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -112.0 129.77 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.914 0.387 . . . . 0.0 110.455 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 51' ' ' VAL . 59.4 mt -74.65 123.35 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.477 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.9 pt -119.96 -6.06 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.621 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.8 tp10 -150.25 133.72 16.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' CE1' HG23 ' A' ' 14' ' ' VAL . 19.2 m170 -89.06 107.6 19.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.88 172.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.35 125.04 33.36 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.192 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -85.83 60.85 6.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.617 0.722 . . . . 0.0 110.299 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -128.73 153.55 47.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.872 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.91 -29.79 35.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.053 0.454 . . . . 0.0 109.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 p -73.18 -45.14 58.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.712 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -140.25 131.82 27.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.833 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 4.9 m-20 -101.69 -15.0 17.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.834 0.349 . . . . 0.0 111.259 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -136.83 144.49 43.66 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.044 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -103.77 107.85 18.89 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 169.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 38' ' ' ILE . 46.2 t -104.59 115.88 47.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.741 -172.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 57' ' ' ASP . 28.5 m -90.64 110.39 21.55 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.323 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.58 161.58 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.142 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -21.33 64.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 111.488 -174.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -81.5 -9.95 59.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.761 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.19 13.32 33.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.641 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 52' ' ' SER . 7.7 m-20 -86.34 120.27 27.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.743 0.306 . . . . 0.0 110.57 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.0 mt -86.56 100.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.861 0.363 . . . . 0.0 110.314 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 m -112.76 138.61 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.204 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.46 134.6 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -141.05 170.9 14.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.275 0.559 . . . . 0.0 111.681 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 54.1 tttp -115.53 170.63 8.27 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 175.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -63.89 -17.31 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -176.019 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -81.05 -28.67 35.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.965 0.412 . . . . 0.0 110.951 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -93.28 4.84 53.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.544 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 18' ' ' VAL . 87.5 mt -121.49 122.4 39.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 111.765 -174.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.5 m -117.59 109.08 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.501 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 43.5 Cg_endo -66.81 149.62 83.4 Favored 'Trans proline' 0 N--CA 1.473 0.299 0 C-N-CA 122.988 2.458 . . . . 0.0 114.712 -169.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 19' ' ' GLU . 29.8 mt -83.26 109.19 17.03 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.494 175.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -95.89 106.1 18.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.961 0.41 . . . . 0.0 110.448 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.15 -15.55 47.66 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.058 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 141.86 177.75 17.3 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.997 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -86.21 -56.36 3.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 110.238 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.66 87.98 7.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.116 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -92.47 -16.9 25.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.249 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -92.69 92.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.999 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -82.22 -0.94 47.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.74 -44.52 73.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.857 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -66.07 -48.88 69.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.058 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -108.24 82.79 1.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.407 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -122.58 -49.31 2.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.024 174.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 179.78 -174.81 0.26 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -153.98 116.69 4.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.698 -0.667 . . . . 0.0 109.808 178.56 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.599 0.237 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.19 -37.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 111.325 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.5 -93.29 0.51 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -154.44 118.48 2.6 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.214 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -98.02 16.22 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.431 2.754 . . . . 0.0 112.179 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.8 mt -108.63 146.17 33.14 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.889 -174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -57.82 133.69 57.77 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.973 2.449 . . . . 0.0 112.203 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -86.04 44.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.695 -175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -97.37 -152.38 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.786 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -85.59 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 110.567 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.506 ' HB2' ' OH ' ' A' ' 49' ' ' TYR . 68.3 m -165.34 -38.44 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 22.0 m-85 -118.28 132.33 23.82 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.428 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' TYR . 2.0 Cg_endo -81.4 165.9 18.33 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.89 2.394 . . . . 0.0 112.887 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG13 ' HA ' ' A' ' 39' ' ' ILE . 65.5 t -73.16 138.18 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.294 176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.59 -7.12 55.61 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.67 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.5 tp -78.18 119.77 22.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.24 123.64 29.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.103 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 68' ' ' PRO . 35.5 m -130.77 145.47 35.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.043 -176.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HG2' ' HG3' ' A' ' 35' ' ' LYS . 39.4 mt-10 -94.34 130.47 40.63 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 20' ' ' ILE . 2.8 mp -65.46 120.26 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.58 . . . . 0.0 110.078 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -75.05 151.29 38.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.017 -174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -76.76 59.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.666 0.746 . . . . 0.0 110.558 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' HB2' ' HG3' ' A' ' 65' ' ' GLU . 52.4 m-80 -122.52 -25.2 4.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.541 171.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.92 -2.24 20.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.042 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -57.96 -28.72 64.6 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -105.44 83.75 2.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.598 0.713 . . . . 0.0 109.685 171.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.38 -59.68 0.38 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.182 -175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.0 m -143.69 83.94 10.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.48 35.55 0.54 Allowed 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.446 2.764 . . . . 0.0 113.458 -171.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -125.46 19.71 8.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.023 0.916 . . . . 0.0 109.738 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -148.37 90.16 1.78 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.289 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.12 111.81 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.15 12.42 84.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.984 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -87.16 155.04 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.58 ' HG3' ' HG2' ' A' ' 19' ' ' GLU . 2.2 mptp? -99.75 116.34 31.62 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.11 -171.79 14.03 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.107 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -143.18 133.08 24.07 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -73.66 120.59 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.082 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.56 ' HA ' HG13 ' A' ' 14' ' ' VAL . 25.7 pt -116.86 -7.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 9.7 tp10 -156.16 149.03 24.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.432 ' NE2' HG23 ' A' ' 14' ' ' VAL . 89.3 m-70 -99.1 111.78 24.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.34 117.2 24.99 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -86.17 79.03 9.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.169 172.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 47' ' ' TYR . 35.5 t -129.1 -175.0 3.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.788 -1.097 . . . . 0.0 109.579 -175.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.05 -0.13 11.17 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 m -118.48 -46.75 2.57 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.315 -1.312 . . . . 0.0 110.381 -177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' O ' ' HB3' ' A' ' 44' ' ' SER . 48.7 m-85 -117.67 150.43 39.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.642 -177.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.538 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 1.6 m-20 -112.45 -30.65 7.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.506 ' OH ' ' HB2' ' A' ' 11' ' ' SER . 54.4 m-85 -137.38 146.58 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.41 . . . . 0.0 111.764 -173.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . . . -99.73 114.04 26.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.0 t -112.46 126.62 69.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p -98.94 115.04 27.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.6 168.51 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 111.429 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -26.41 68.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.4 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -6.33 44.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.97 15.31 70.27 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.736 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -101.04 123.53 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.35 121.35 40.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.02 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 7.2 m -130.13 147.5 51.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.168 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -90.07 128.26 36.26 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' CE2' ' HB ' ' A' ' 59' ' ' THR . 84.4 m-85 -130.33 170.68 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.237 0.541 . . . . 0.0 110.531 -177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.599 ' HB3' ' OE1' ' A' ' 65' ' ' GLU . 55.7 tttp -111.71 164.83 12.6 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -59.74 -30.93 69.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -72.92 -22.93 60.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.108 0.48 . . . . 0.0 110.888 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 62' ' ' LYS . 6.7 mp0 -98.43 25.39 6.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.291 -173.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 97.5 mt -135.42 156.24 49.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.118 0.485 . . . . 0.0 111.397 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 90.9 m -142.89 105.05 5.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.428 172.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.469 ' HA ' HG12 ' A' ' 18' ' ' VAL . 17.0 Cg_exo -66.89 149.75 83.12 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.222 2.615 . . . . 0.0 113.545 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD21 ' HG3' ' A' ' 19' ' ' GLU . 64.7 mt -85.64 78.89 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.099 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -105.5 106.54 17.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.032 0.444 . . . . 0.0 110.682 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.37 -30.96 0.19 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.62 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.24 -167.77 30.54 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.236 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 73' ' ' LEU . 3.8 mm? -90.25 70.61 7.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 110.559 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.17 -41.52 10.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.5 t80 68.62 11.24 8.28 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.1 t -80.65 89.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.5 mt 68.25 137.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.784 0.802 . . . . 0.0 112.519 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' H ' ' A' ' 82' ' ' HIS . 1.4 pm0 -76.48 95.48 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.86 175.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -69.25 127.19 32.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.872 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.4 p80 41.0 47.68 2.69 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 124.324 1.015 . . . . 0.0 112.438 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 68.24 108.28 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.491 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.541 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 81.5 t60 -168.11 96.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.503 169.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 12.2 t60 -103.13 118.89 37.81 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 83' ' ' HIS . 42.8 t-80 . . . . . 0 C--O 1.245 0.847 0 O-C-N 123.729 0.643 . . . . 0.0 110.409 -178.578 . . . . . . . . 1 1 . 1 stop_ save_