data_1xpw_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 1xpw _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 ' 2' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 2' ' ' ARG . 68.9 mtt180 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 53.15 70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.3 0.572 . . . . 0.0 111.688 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.7 tt -103.25 158.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.252 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.581 ' HB3' HD11 ' A' ' 8' ' ' LEU . 57.6 m-20 -71.42 89.89 0.95 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.28 0.562 . . . . 0.0 111.069 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 26.0 mt -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.951 -172.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.501 ' O ' HG21 ' A' ' 31' ' ' ILE . 36.7 t -92.47 -4.06 54.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -168.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 5' ' ' ASP . 9.2 mp -91.38 158.26 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -174.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.755 ' HB2' HD13 ' A' ' 31' ' ' ILE . 26.9 t -74.21 -21.3 59.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.437 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m -63.47 -24.54 67.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.677 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -99.5 7.7 45.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.806 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.73 30.82 34.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.179 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -118.47 116.02 25.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.853 0.326 . . . . 0.0 110.178 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -109.05 175.46 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.948 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.58 147.6 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 111.272 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.711 HG22 ' HB ' ' A' ' 50' ' ' ILE . 4.7 tt -145.09 163.22 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.666 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 ' N ' HG12 ' A' ' 16' ' ' ILE . 1.0 OUTLIER 67.24 24.54 9.11 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.691 0.397 . . . . 0.0 112.006 169.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.12 106.49 2.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.786 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -56.34 -53.16 60.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.178 0.513 . . . . 0.0 110.812 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.544 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 45.0 t -108.84 105.2 14.66 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -125.12 117.82 24.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.125 0.488 . . . . 0.0 110.566 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 9.4 t0 -93.55 146.89 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.257 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.08 -22.84 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.784 -176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -102.92 -18.62 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.236 0.541 . . . . 0.0 110.204 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 57.4 m80 -111.04 74.61 1.01 Allowed Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.22 126.41 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.626 2.217 . . . . 0.0 113.614 -166.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.66 -16.48 19.39 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.361 2.707 . . . . 0.0 112.651 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.43 -22.83 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.611 0.243 . . . . 0.0 110.762 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 3.3 p30 -66.22 -27.44 67.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.68 -39.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 110.483 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.755 HD13 ' HB2' ' A' ' 9' ' ' SER . 13.9 pt -96.83 11.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.518 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.0 t70 -104.98 -59.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.262 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.19 31.2 6.29 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.988 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -97.22 122.84 54.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 117.342 0.571 . . . . 0.0 110.359 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.13 -31.3 92.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.448 2.765 . . . . 0.0 113.623 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.96 -16.48 63.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 p -115.72 146.68 41.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.839 0.352 . . . . 0.0 111.561 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -154.13 161.24 42.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.789 ' HE3' HG13 ' A' ' 128' ' ' VAL . 77.4 t90 -100.08 121.59 41.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 t -125.4 147.72 49.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.71 146.57 37.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 -176.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.5 p -88.47 3.5 49.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 110.41 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.49 0.83 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.013 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.544 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 1.4 mpt? -112.43 96.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.807 -0.231 . . . . 0.0 110.853 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -106.99 128.66 25.65 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.14 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.765 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.7 Cg_exo -76.67 164.26 87.88 Favored 'Cis proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.488 -1.463 . . . . 0.0 112.043 -1.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.584 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 8.3 pt20 -117.76 113.76 22.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.29 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.9 pt-20 -124.8 153.55 42.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 111.156 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.82 155.44 25.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.711 ' HB ' HG22 ' A' ' 16' ' ' ILE . 56.0 mt -113.19 140.35 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.934 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -109.21 118.39 56.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -93.8 109.38 21.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 91.9 m-85 -72.91 -29.03 62.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.015 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 65.99 13.11 8.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.564 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.5 pttm -158.26 163.67 37.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.105 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 28.5 m-70 -88.25 107.47 18.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' A' ' 55' ' ' LYS . 27.2 m -114.59 149.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 0.0 OUTLIER -101.9 107.74 19.0 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.93 127.47 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.387 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.26 -28.52 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.212 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.722 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 64.1 mtt180 -144.96 154.92 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.097 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.535 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.9 mp -118.53 113.97 22.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.9 107.57 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.521 HG23 HG13 ' A' ' 131' ' ' VAL . 48.9 mt -119.07 118.28 57.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -113.5 102.2 10.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -140.53 170.96 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.749 0.309 . . . . 0.0 111.189 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.803 ' HH ' HD21 ' A' ' 100' ' ' LEU . 4.2 m-85 -122.58 153.88 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 73.38 -23.55 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 167.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.04 135.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 122.8 0.44 . . . . 0.0 112.186 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -113.87 -68.37 0.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 p -106.14 108.99 20.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.032 0.444 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 tp -107.71 103.3 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.624 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 31.0 tttp -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.838 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.55 ' HB ' HG13 ' A' ' 89' ' ' ILE . 58.1 mt -93.12 116.76 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 35.1 tt0 -117.0 142.9 46.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 11.3 ptmm? -122.5 154.97 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 111.914 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.527 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 44.4 t -140.71 140.82 34.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.928 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -121.32 25.41 9.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.51 0.672 . . . . 0.0 109.562 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -84.16 -171.49 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.208 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.806 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 20.3 ptmt -102.88 -15.54 16.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.841 176.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.806 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 38.4 mt-10 -119.17 165.18 17.84 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -70.1 46.11 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.294 2.663 . . . . 0.0 112.277 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 ' HB2' ' A' ' 81' ' ' GLU . 26.1 m -143.45 -178.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 122.905 0.482 . . . . 0.0 110.117 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.9 t0 57.25 84.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.387 0.613 . . . . 0.0 111.552 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 68.3 m-85 -116.82 166.98 11.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.33 134.93 34.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.309 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -64.95 118.08 8.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.448 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 8.1 t90 -96.16 -68.93 0.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.55 HG13 ' HB ' ' A' ' 74' ' ' ILE . 2.2 pt -144.82 95.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.297 0.57 . . . . 0.0 111.323 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.14 103.65 16.25 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -122.01 147.6 45.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.876 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.6 145.38 26.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.488 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.433 HD22 ' O ' ' A' ' 94' ' ' VAL . 5.1 tt -112.14 147.01 37.03 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' HD22 ' A' ' 93' ' ' LEU . 68.0 t -81.47 132.66 30.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -57.05 106.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 101' ' ' GLN . 33.7 p -98.28 110.67 23.21 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.865 0.841 . . . . 0.0 112.058 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.58 101.18 10.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.667 -1.152 . . . . 0.0 110.111 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.94 21.71 78.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.223 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -125.52 117.81 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.023 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.803 HD21 ' HH ' ' A' ' 67' ' ' TYR . 26.6 mt -74.62 97.63 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 175.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.639 ' HB2' HG22 ' A' ' 96' ' ' THR . 8.4 tp-100 -93.62 103.55 15.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.83 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -83.37 112.15 19.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.38 110.15 21.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.446 0.641 . . . . 0.0 111.2 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.25 94.29 8.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.177 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 67.5 mt -95.28 110.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 m -82.45 87.67 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.783 0.801 . . . . 0.0 110.512 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.44 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -124.71 122.81 38.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.292 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -109.28 110.55 21.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.355 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.11 160.42 34.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.79 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.4 m -100.88 135.06 42.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.85 43.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.195 0.521 . . . . 0.0 111.842 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.5 p -118.41 -28.61 5.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.856 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.527 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 80.3 m-85 -137.01 142.62 42.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.814 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 82.6 mt -129.13 130.73 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.491 ' HG3' HG12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -110.93 108.9 18.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 32.7 m-85 -88.95 109.75 20.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.079 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.2 mt -105.67 97.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.315 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.584 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 30.9 mt -85.1 96.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.765 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 36.1 t -65.94 -51.27 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.989 -173.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.2 m -146.2 164.12 33.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.464 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.97 165.83 25.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.397 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.61 -21.24 61.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 109.949 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.12 151.82 37.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.032 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -78.45 11.56 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.074 0.464 . . . . 0.0 111.445 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -133.42 122.39 23.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.0 134.18 55.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 11.6 p -132.14 125.83 32.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.395 0.616 . . . . 0.0 111.63 -176.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.789 HG13 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -97.15 131.89 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -104.36 -40.27 6.15 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.79 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -156.16 131.48 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.638 0.256 . . . . 0.0 110.623 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 64' ' ' ILE . 18.1 m -136.41 140.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 22.7 t -149.87 147.08 27.52 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.62 125.91 51.53 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.722 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 64.3 mt-10 -94.09 107.67 19.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.336 0.589 . . . . 0.0 110.404 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -174.73 -147.52 6.19 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.26 156.01 42.56 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 117.54 0.67 . . . . 0.0 110.846 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.416 HG13 HG13 ' A' ' 57' ' ' VAL . 24.0 m -75.54 130.41 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.31 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.97 -41.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 110.421 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.408 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 15.6 m . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.604 ' HA ' HG21 ' A' ' 136' ' ' THR . 3.9 ptp85 . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -145.25 68.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.685 -0.806 . . . . 0.0 112.827 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tt -101.99 136.37 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -70.43 96.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.479 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.81 -8.02 59.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.941 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.0 m -92.97 -3.69 54.02 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.58 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 66.8 mt -65.93 137.23 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.166 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 13' ' ' SER . 16.8 m -66.31 -15.9 63.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.849 174.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -73.66 -23.9 59.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.583 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.8 -7.6 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.527 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.64 6.71 54.51 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.327 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 9' ' ' SER . 20.4 m -86.84 121.82 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.569 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -116.2 157.37 24.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -93.15 143.01 12.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.198 0.523 . . . . 0.0 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' HB ' ' A' ' 50' ' ' ILE . 8.2 tt -139.6 130.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.468 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.2 tt 70.34 90.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.671 0.607 . . . . 0.0 110.38 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.6 130.02 54.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.2 m -53.58 -55.31 26.82 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -117.98 145.39 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -145.56 132.05 19.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.714 0.292 . . . . 0.0 110.326 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -116.46 154.53 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.356 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.68 -40.78 69.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.168 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.57 -33.49 31.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.977 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -129.92 81.52 68.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.907 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 Cg_endo -73.56 155.65 49.95 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.51 2.14 . . . . 0.0 111.854 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.58 -9.51 18.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.048 2.499 . . . . 0.0 112.922 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.02 -14.0 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 0.0 110.23 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.501 ' OD1' ' HD2' ' A' ' 26' ' ' PRO . 10.7 m120 -86.1 -1.66 57.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.292 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 130' ' ' SER . 67.3 mt -69.99 -23.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.729 0.776 . . . . 0.0 109.109 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 40.2 mt -107.96 -87.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.075 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 20.6 t70 69.27 -46.14 0.57 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.901 0.88 . . . . 0.0 113.101 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.57 -6.44 33.58 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -121.17 113.16 32.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HA ' ' OG ' ' A' ' 130' ' ' SER . 16.8 Cg_exo -68.2 -6.62 17.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.177 2.584 . . . . 0.0 112.095 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.28 -17.56 61.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.569 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 159.74 15.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.177 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -153.9 158.79 41.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.838 0.351 . . . . 0.0 111.472 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.423 ' HE3' HG12 ' A' ' 128' ' ' VAL . 33.2 t90 -125.38 148.17 48.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.05 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 126' ' ' ALA . 7.9 t -136.97 147.51 46.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.816 0.341 . . . . 0.0 110.472 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -76.83 151.61 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 p -89.52 36.36 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 111.371 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.6 25.23 54.36 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.037 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 88.4 mtp -112.43 108.39 17.51 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -106.7 146.58 33.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.626 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.634 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -84.3 178.43 26.47 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.325 -1.531 . . . . 0.0 112.029 -1.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.445 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 1.0 OUTLIER -107.24 111.72 24.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.651 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.99 128.14 56.1 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.873 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 33.4 p90 -147.39 134.84 20.79 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.36 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 114' ' ' LEU . 67.1 mt -109.27 135.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -110.91 121.77 64.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 47.9 t -97.7 117.03 31.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.283 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.441 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 91.7 m-85 -72.76 -29.41 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.653 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 66.38 2.81 2.56 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.711 -174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 139' ' ' SER . 48.4 mtmt -136.54 173.35 11.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -172.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 22.8 m-70 -100.74 105.67 17.02 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 HG23 ' A' ' 137' ' ' VAL . 34.6 m -121.88 146.77 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.302 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -102.41 117.12 34.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.244 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 87.5 mt -89.67 129.35 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HB3' ' HA2' ' A' ' 135' ' ' GLY . 4.2 tp10 -111.58 -22.34 11.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.875 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.747 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 18.8 ttt180 -162.32 155.77 20.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.291 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.62 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -132.31 117.53 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.49 102.33 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.046 0.451 . . . . 0.0 109.819 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.16 124.58 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.912 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.51 102.45 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.087 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 24.2 m -149.96 -174.62 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.496 -175.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -140.0 159.83 41.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.187 175.098 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 65.48 -96.75 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.85 0.719 . . . . 0.0 111.191 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.874 HG11 ' H ' ' A' ' 70' ' ' GLN . 2.8 t 55.9 -168.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 123.538 0.524 . . . . 0.0 110.214 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.874 ' H ' HG11 ' A' ' 69' ' ' VAL . 36.2 tt0 177.44 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -118.42 101.49 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.435 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD11 HG12 ' A' ' 118' ' ' ILE . 43.9 tp -116.51 116.43 27.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.086 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.705 ' HE2' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -100.18 130.24 46.29 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.586 177.058 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 89' ' ' ILE . 47.3 mt -98.71 102.57 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.889 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.705 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 18.2 tt0 -107.22 133.17 52.19 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.148 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -118.87 150.93 39.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 65.7 m -134.21 118.46 17.64 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.104 0.478 . . . . 0.0 110.293 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.42 32.08 3.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -85.29 164.15 18.19 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.251 -172.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -89.28 -16.48 31.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.388 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 62.9 mm-40 -116.5 164.21 19.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.672 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 84.8 Cg_endo -77.99 34.43 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.298 1.999 . . . . 0.0 112.514 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.9 m -137.32 -173.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.872 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 61.55 98.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.433 0.635 . . . . 0.0 110.052 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -105.44 128.46 53.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.533 -171.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -104.09 120.89 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.371 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 138.89 58.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.055 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -130.83 -79.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.841 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.552 HG13 HD11 ' A' ' 74' ' ' ILE . 5.5 pt -142.68 156.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.934 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -120.01 140.58 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.08 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HE3' HG12 ' A' ' 105' ' ' ILE . 35.4 mmtt -128.54 107.48 9.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.534 0.683 . . . . 0.0 111.399 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.44 126.28 45.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.05 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 69' ' ' VAL . 82.7 mt -111.26 152.79 26.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.607 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -112.87 147.81 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.78 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -64.99 103.31 0.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.178 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.5 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 2.6 p -91.6 137.28 32.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.719 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.91 117.1 32.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.47 -25.87 4.84 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.5 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 19.8 tt0 -93.53 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.329 . . . . 0.0 110.623 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.2 tt -77.88 137.19 38.23 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.505 ' N ' HD23 ' A' ' 100' ' ' LEU . 73.7 mm-40 -72.37 83.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 0.0 111.492 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.41 95.21 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 168.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.98 121.32 40.78 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -174.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.549 ' HG2' ' NH2' ' A' ' 61' ' ' ARG . 2.5 mp0 -99.13 92.99 5.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.607 0.718 . . . . 0.0 109.819 174.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.62 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 59.6 mt -86.87 95.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.674 -176.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.07 105.92 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.403 0.621 . . . . 0.0 109.961 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.84 131.74 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -99.44 120.58 39.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.79 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.452 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -167.1 140.05 6.08 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.466 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 m -100.52 131.34 46.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.47 155.63 39.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 111.803 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 p -106.73 -30.7 8.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.513 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 64.1 m-85 -130.11 137.88 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.259 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 32.7 mt -114.73 122.35 46.16 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.432 ' HE ' HD13 ' A' ' 117' ' ' ILE . 52.2 ttt85 -110.76 96.06 5.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.352 0.596 . . . . 0.0 110.425 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.26 123.17 30.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.579 HD12 ' HD2' ' A' ' 73' ' ' LYS . 81.8 mt -122.5 107.23 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.103 0.478 . . . . 0.0 110.97 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.581 HG12 HD11 ' A' ' 72' ' ' LEU . 52.9 mt -87.88 102.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.634 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -74.43 -41.05 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.929 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -151.07 160.7 43.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.601 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.56 162.35 37.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.601 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -64.26 -23.66 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.265 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 124' ' ' HIS . 14.9 t70 -126.04 -176.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.431 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 67.5 m-70 -90.9 -18.31 24.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 109.571 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.29 122.37 45.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.316 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.454 ' O ' ' HA ' ' A' ' 40' ' ' THR . . . -114.56 112.41 22.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.9 p -104.99 114.03 27.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 0.0 111.467 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.423 HG12 ' HE3' ' A' ' 39' ' ' TRP . 6.3 p -104.68 132.11 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.451 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -84.97 -64.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.606 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 42.1 m -152.59 144.22 23.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.55 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 13.3 m -121.04 122.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.888 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -120.59 138.43 53.9 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.475 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.45 26.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.747 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 53.5 mt-10 -94.24 139.94 30.41 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' A' ' 60' ' ' GLU . . . 171.05 -141.81 6.7 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 2' ' ' ARG . 22.9 p -138.29 126.35 22.75 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.197 0.522 . . . . 0.0 110.433 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.69 HG23 HG11 ' A' ' 57' ' ' VAL . 7.9 p -84.34 137.02 21.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.522 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.32 -58.28 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.788 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.532 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 36.6 m . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -146.94 112.53 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 6.3 tt -154.01 146.24 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.134 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.36 93.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.684 HD12 ' HB ' ' A' ' 57' ' ' VAL . 89.9 mt -77.88 0.75 22.85 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.9 m -94.23 -3.61 50.43 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.211 -0.305 . . . . 0.0 111.566 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 74.6 mt -72.15 144.89 48.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 111.472 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -17.37 64.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 0.0 110.366 171.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -68.89 -22.46 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.416 0.627 . . . . 0.0 109.485 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.01 -15.98 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.889 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.88 5.31 35.81 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.326 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -81.51 144.21 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.102 0.477 . . . . 0.0 110.813 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.02 138.48 51.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.309 -175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.1 125.96 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 109.956 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.642 HG22 ' HB ' ' A' ' 50' ' ' ILE . 3.8 tt -124.58 114.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.835 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' HG ' HG12 ' A' ' 16' ' ' ILE . 87.0 mt 73.97 131.85 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.52 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.56 146.4 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -66.01 -35.88 81.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 m -127.85 147.48 50.45 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -144.27 106.04 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 0.0 110.097 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -104.26 150.6 24.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.26 -13.58 32.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.05 0.452 . . . . 0.0 110.584 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -89.59 -36.2 15.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -116.97 84.63 16.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.315 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -66.92 127.44 16.94 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.442 2.095 . . . . 0.0 111.893 -175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' ILE . 51.4 Cg_exo -56.17 -29.92 77.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.929 2.42 . . . . 0.0 111.86 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.55 -17.97 57.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.382 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -84.81 -3.49 58.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.637 0.256 . . . . 0.0 110.889 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.462 HG22 HG23 ' A' ' 31' ' ' ILE . 10.7 tt -70.41 -27.7 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.249 0.547 . . . . 0.0 109.873 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 HG23 HG22 ' A' ' 30' ' ' ILE . 15.1 pt -102.34 6.43 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.854 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.94 -57.84 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.24 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.27 -8.39 35.45 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.063 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -83.59 131.46 52.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.787 0.794 . . . . 0.0 110.756 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.47 13.77 1.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.813 2.342 . . . . 0.0 112.875 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.53 -40.21 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.242 0.544 . . . . 0.0 110.0 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -151.1 119.27 6.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.669 175.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 30.1 p90 -112.6 164.66 13.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.5 144.24 28.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.325 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 t -147.04 141.66 26.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.508 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 43' ' ' GLY . 27.5 m -78.61 138.39 38.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.286 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -85.54 6.3 27.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.723 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.644 ' H ' HG23 ' A' ' 41' ' ' THR . . . 104.8 47.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.854 172.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 51.5 ttp -123.47 117.62 25.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 117.211 0.505 . . . . 0.0 109.807 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -106.5 141.06 22.0 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.985 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.4 165.48 80.41 Favored 'Cis proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.581 -1.425 . . . . 0.0 112.275 -0.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.619 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 57.2 mt-30 -106.99 111.51 24.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.68 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.165 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.1 149.12 28.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.741 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.642 ' HB ' HG22 ' A' ' 16' ' ' ILE . 42.8 mt -118.99 143.67 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.035 0.445 . . . . 0.0 110.837 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.15 118.66 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 54' ' ' HIS . 53.7 t -102.78 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.46 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.6 m-85 -71.28 -20.19 62.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.792 -176.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.473 ' HD2' ' SG ' ' A' ' 52' ' ' CYS . 17.3 m170 63.44 12.57 6.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.377 0.423 . . . . 0.0 110.694 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -161.23 154.99 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.087 -168.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -88.03 115.79 25.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.684 ' HB ' HD12 ' A' ' 6' ' ' LEU . 15.9 m -125.41 141.72 44.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.233 0.54 . . . . 0.0 111.628 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.612 ' HG2' HG22 ' A' ' 138' ' ' VAL . 15.5 mmm-85 -84.3 108.12 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.739 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -95.5 117.38 39.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 O-C-N 123.657 0.598 . . . . 0.0 109.788 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -124.6 4.64 8.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 0.0 109.609 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 16.2 tpp85 -158.34 136.19 10.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.649 -177.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 88.8 mt -123.64 115.31 21.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.87 102.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 35.2 mm -100.22 105.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.27 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -108.55 105.48 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 p -140.42 165.68 26.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.861 0.363 . . . . 0.0 111.838 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.21 128.6 56.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.186 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 69.32 -93.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.785 0.678 . . . . 0.0 111.687 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.895 HG13 ' H ' ' A' ' 70' ' ' GLN . 2.7 t 52.65 -158.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 O-C-N 123.363 0.415 . . . . 0.0 109.917 -176.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.895 ' H ' HG13 ' A' ' 69' ' ' VAL . 28.8 tt0 177.53 -72.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.262 0.625 . . . . 0.0 109.745 175.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 m -110.41 100.07 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.4 tp -118.34 113.58 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.684 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -100.94 123.26 44.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.983 0.421 . . . . 0.0 110.157 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.652 HD11 HG13 ' A' ' 89' ' ' ILE . 66.4 mt -93.11 118.53 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.975 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.772 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 14.3 tt0 -105.43 133.84 49.53 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 88' ' ' TRP . 22.2 ptmt -112.81 144.33 42.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.759 0.314 . . . . 0.0 111.303 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.79 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.5 t -143.02 136.87 28.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.611 HG21 ' HA ' ' A' ' 111' ' ' ALA . 0.8 OUTLIER -132.05 24.15 4.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.977 177.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -92.83 14.23 18.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.861 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 71.81 -49.29 0.69 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.172 0.589 . . . . 0.0 111.029 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -86.31 158.68 54.71 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.75 56.35 2.89 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.829 2.353 . . . . 0.0 111.745 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.92 172.97 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.25 52.47 12.03 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.081 0.863 . . . . 0.0 112.509 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.754 ' HB2' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -93.5 128.61 39.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.01 174.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -123.16 157.9 31.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.163 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.01 125.27 23.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.113 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.404 ' CG ' ' HD2' ' A' ' 76' ' ' LYS . 9.7 t90 -100.75 -74.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.652 HG13 HD11 ' A' ' 74' ' ' ILE . 4.7 pt -141.76 105.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.309 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 73' ' ' LYS . 9.0 pt-20 -96.28 134.91 38.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.082 0.468 . . . . 0.0 110.06 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -128.36 141.52 51.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.655 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.8 p-10 -94.89 127.97 41.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 170.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.65 162.25 13.07 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.23 139.56 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.063 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.96 105.69 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.804 0.335 . . . . 0.0 110.487 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.525 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.6 p -96.51 140.89 30.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.296 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -103.86 103.69 13.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.713 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.04 13.49 76.05 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.625 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.525 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.8 mm100 -121.45 144.8 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.906 0.384 . . . . 0.0 111.048 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 129' ' ' HIS . 6.9 mt -80.09 127.51 32.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.582 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -85.37 94.13 8.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.012 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 84.9 m-20 -102.03 104.79 15.47 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.58 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.0 112.55 25.58 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.979 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.59 85.61 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 62.2 mt -79.99 125.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.627 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.07 86.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.49 118.09 35.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.311 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -99.07 104.68 16.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.017 0.437 . . . . 0.0 109.901 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.21 -172.17 34.1 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.867 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 m -143.3 136.7 28.22 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.611 ' HA ' HG21 ' A' ' 78' ' ' THR . . . -148.92 147.94 29.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 15.8 p -100.78 -25.16 14.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.79 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 63.3 m-85 -132.69 127.2 34.29 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.106 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.46 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.2 mt -114.97 116.3 28.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.772 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 62.6 ttt180 -106.62 106.78 17.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.769 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -89.75 115.22 26.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.684 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 68.8 mt -114.16 102.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.438 0.637 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.619 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 58.5 mt -86.82 101.12 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.038 174.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.7 t -68.22 -42.82 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.373 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 p -154.98 163.16 40.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -139.29 162.54 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -67.13 -31.56 72.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 110.468 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.46 168.15 9.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.002 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.33 -22.43 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.016 0.436 . . . . 0.0 110.41 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -115.92 148.33 40.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.88 139.86 43.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.239 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -127.42 142.85 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.4 p -114.6 138.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.458 ' HB2' HD21 ' A' ' 100' ' ' LEU . 10.7 t60 -96.01 -55.84 2.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 m -158.54 125.65 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.116 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.26 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.368 0.604 . . . . 0.0 109.972 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.7 m -109.26 148.33 31.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.843 -172.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.67 123.81 51.13 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 27.5 mt-10 -107.18 150.73 26.3 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.161 0.505 . . . . 0.0 110.855 -176.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 154.3 -130.92 3.03 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 163.0 39.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.063 0.432 . . . . 0.0 111.37 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -84.49 132.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.759 0.314 . . . . 0.0 111.228 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.612 HG22 ' HG2' ' A' ' 58' ' ' ARG . 40.9 t -89.84 -71.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -177.388 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 51.3 mttm 70.46 89.43 0.1 Allowed 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.771 0.796 . . . . 0.0 110.926 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tt -138.59 145.41 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.657 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.28 102.78 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 110.314 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' A' ' 57' ' ' VAL . 30.7 mt -83.77 4.83 27.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.052 -174.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.23 -5.61 46.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.53 133.09 46.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.949 0.404 . . . . 0.0 111.338 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.705 ' HB3' HD12 ' A' ' 31' ' ' ILE . 54.8 p -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.202 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -78.64 -17.65 55.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.812 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -87.01 -9.48 55.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.512 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.58 35.27 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.286 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 135.27 41.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.033 0.444 . . . . 0.0 110.23 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -137.93 134.47 35.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.937 -173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.774 HG21 ' HB2' ' A' ' 27' ' ' PRO . 15.3 m -84.27 130.44 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.278 0.561 . . . . 0.0 110.674 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.8 tt -130.67 133.08 63.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 62.14 80.11 0.24 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.656 0.741 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.47 143.91 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.053 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -68.76 -38.33 80.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.812 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -167.35 169.63 12.19 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.586 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 34.4 t -172.6 159.77 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.882 ' HB2' ' HB2' ' A' ' 25' ' ' HIS . 7.3 m-20 -92.19 161.96 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HG3' ' HG3' ' A' ' 24' ' ' LYS . 8.1 pt-20 -76.37 -36.54 58.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.868 0.366 . . . . 0.0 110.54 177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 63.7 mttp -99.79 -0.5 39.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.447 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.882 ' HB2' ' HB2' ' A' ' 22' ' ' ASP . 28.5 m80 -129.27 72.48 81.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.18 162.59 2.54 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.952 2.434 . . . . 0.0 113.187 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.2 Cg_exo -66.71 -12.38 35.67 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.904 2.402 . . . . 0.0 111.119 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -56.57 -31.01 63.8 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.515 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 29.1 t-20 -69.88 -30.81 68.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.8 -35.23 72.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.181 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.705 HD12 ' HB3' ' A' ' 9' ' ' SER . 31.0 pt -98.79 6.59 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.596 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 19.0 t70 -101.26 -67.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.86 27.17 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.585 -0.817 . . . . 0.0 114.246 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 49.5 t30 -84.32 116.75 66.49 Favored Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 117.724 0.762 . . . . 0.0 110.588 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 24.6 Cg_exo -63.64 -14.14 40.9 Favored 'Trans proline' 0 N--CA 1.477 0.551 0 C-N-CA 123.667 2.911 . . . . 0.0 114.26 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.35 -27.71 69.2 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.402 HG23 ' ND2' ' A' ' 29' ' ' ASN . 9.2 t -138.53 163.82 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.4 p90 -154.2 169.48 23.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.29 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.657 ' HE3' HG13 ' A' ' 128' ' ' VAL . 82.1 t90 -94.43 113.53 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 0.0 109.64 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t -103.42 146.32 28.67 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.1 p -76.67 125.62 29.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.96 11.02 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.885 0.374 . . . . 0.0 111.716 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.14 14.61 51.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.993 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.522 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 25.6 mmt -94.22 88.82 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.757 -0.261 . . . . 0.0 110.549 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.85 132.64 20.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.968 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.62 163.58 74.06 Favored 'Cis proline' 0 C--O 1.234 0.314 0 C-N-CA 123.256 -1.56 . . . . 0.0 112.347 -1.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HB3' ' O ' ' A' ' 44' ' ' MET . 14.6 pt20 -134.71 149.82 50.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -135.82 150.35 49.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.262 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -148.9 133.04 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.486 HG12 ' HG3' ' A' ' 115' ' ' ARG . 58.0 mt -105.93 134.83 46.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.913 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.36 114.77 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.448 . . . . 0.0 109.918 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 t -93.89 112.04 23.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.9 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.55 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 90.9 m-85 -71.95 -19.17 61.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.023 0.44 . . . . 0.0 109.887 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 67.59 -2.51 1.32 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.326 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 53' ' ' PHE . 59.3 pttt -147.68 176.71 9.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.586 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 51.3 m-70 -95.61 115.51 27.54 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.694 ' HB ' HD11 ' A' ' 6' ' ' LEU . 19.3 m -117.5 140.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.25 0.548 . . . . 0.0 111.177 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 58' ' ' ARG . 38.9 ttm180 -96.64 108.39 20.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.254 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 70.7 mt -92.24 126.86 44.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.39 -44.43 7.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.595 ' HG2' ' HA ' ' A' ' 106' ' ' VAL . 82.7 mtm180 -144.01 151.26 39.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.4 mp -109.89 108.97 19.44 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.2 t -91.34 98.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.819 HG22 HG12 ' A' ' 131' ' ' VAL . 45.9 mt -105.92 119.56 55.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.37 102.21 12.14 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 128' ' ' VAL . 36.2 p -149.56 143.22 25.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.571 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -128.11 145.06 51.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.41 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 38.6 m-85 74.74 2.31 4.01 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.02 0.825 . . . . 0.0 112.209 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 32.1 t -76.69 144.22 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 3.9 tm0? -113.2 -88.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.901 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.418 ' H ' ' HB3' ' A' ' 70' ' ' GLN . 40.9 m -86.98 106.56 17.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.026 -177.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD12 ' HD1' ' A' ' 116' ' ' PHE . 27.0 tp -114.77 114.59 25.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.634 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 86.2 tttt -95.94 115.67 27.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.495 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.505 HD11 HG13 ' A' ' 89' ' ' ILE . 52.5 mt -93.45 99.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.657 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 20.0 tt0 -96.78 136.65 37.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.477 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . 27.4 ttmt -106.59 138.76 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.769 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 33.1 m -136.1 128.57 30.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.01 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 111' ' ' ALA . 44.0 p -109.22 12.67 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.365 0.602 . . . . 0.0 110.49 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.416 ' HG ' ' HB3' ' A' ' 84' ' ' ASP . 17.6 m -85.53 171.39 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.907 -176.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 12.8 tmtt? -76.99 -28.92 55.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.8 161.03 25.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.593 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 44.67 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.427 2.084 . . . . 0.0 112.353 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.79 179.75 3.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.485 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HB3' ' HG ' ' A' ' 79' ' ' SER . 9.9 t70 64.91 87.53 0.11 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -174.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -103.7 133.8 48.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.777 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.57 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 10.4 pt-20 -124.61 142.5 51.32 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 170.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.74 98.18 10.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.976 0.417 . . . . 0.0 110.471 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -75.46 -73.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.395 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.57 HD12 HG22 ' A' ' 105' ' ' ILE . 1.1 pt -147.82 107.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.162 0.506 . . . . 0.0 111.831 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -91.97 113.4 25.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -123.92 129.25 50.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 110.415 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 13.6 p-10 -95.16 131.94 40.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.092 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 30.8 tp -80.65 148.24 30.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.454 -177.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.09 168.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -106.82 121.08 43.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.874 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 13.5 p -131.65 111.39 11.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 173.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -68.59 111.98 5.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.069 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.48 3.3 66.01 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.554 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.874 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 16.2 mm100 -109.22 115.44 30.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.6 97.92 9.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -95.84 116.22 28.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.48 135.65 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.463 ' HG3' HG13 ' A' ' 105' ' ' ILE . 14.7 tp10 -97.37 101.94 13.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.239 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -96.56 100.35 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 89' ' ' ILE . 77.2 mt -91.62 104.96 16.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.595 ' HA ' ' HG2' ' A' ' 61' ' ' ARG . 4.0 p -78.32 98.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.944 0.878 . . . . 0.0 110.414 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.74 121.76 14.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.704 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 47.1 m80 -99.11 114.32 26.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.361 . . . . 0.0 110.533 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.61 178.26 34.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.356 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -138.26 123.66 19.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -144.85 164.53 30.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.929 0.395 . . . . 0.0 111.311 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.7 p -110.37 -29.28 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.677 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.769 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 50.8 m-85 -127.84 131.14 49.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.494 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.55 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 33.1 mt -114.77 123.62 49.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 171.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.657 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 66.4 ttt180 -106.48 100.14 9.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.873 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.523 ' HD1' HD12 ' A' ' 72' ' ' LEU . 57.1 m-85 -88.51 109.6 20.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.145 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 64.0 mt -106.81 115.01 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.442 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.5 mt -98.36 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.57 -43.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.957 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -143.96 159.97 41.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -140.16 170.37 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.871 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -74.33 -20.29 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.461 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.59 174.23 10.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -79.71 -16.76 55.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.005 0.431 . . . . 0.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -117.03 122.32 43.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.001 0.429 . . . . 0.0 110.367 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.24 171.15 8.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.737 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -145.25 127.9 16.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.392 . . . . 0.0 111.019 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.657 HG13 ' HE3' ' A' ' 39' ' ' TRP . 13.5 p -120.23 127.64 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 171.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 19.2 t60 -97.02 -41.55 8.32 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.885 -176.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.8 t -164.09 129.01 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.849 0.357 . . . . 0.0 110.654 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.819 HG12 HG22 ' A' ' 64' ' ' ILE . 10.2 m -109.76 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 m -90.75 137.9 32.0 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . . . -105.22 108.93 20.71 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.435 ' OE2' ' HG2' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -97.76 121.48 39.72 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.094 0.473 . . . . 0.0 110.016 -176.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.22 1.01 Allowed Glycine 0 N--CA 1.438 -1.212 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.7 p -146.41 145.88 30.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.5 m -76.96 105.35 5.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.271 0.557 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.47 -34.27 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.539 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.718 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 45.5 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 2' ' ' ARG . 42.9 ttm105 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 64.1 tttp 63.0 35.54 13.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 122.58 1.181 . . . . 0.0 107.892 -168.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.6 tt -95.29 138.22 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 -177.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -71.09 111.81 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.022 0.439 . . . . 0.0 109.824 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.719 HD11 ' HB ' ' A' ' 57' ' ' VAL . 13.5 mt -98.83 0.89 45.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.151 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.443 ' HG ' ' HE1' ' A' ' 53' ' ' PHE . 73.1 m -94.05 -3.98 50.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.78 0.324 . . . . 0.0 111.563 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 140.68 58.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.995 0.426 . . . . 0.0 111.062 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -78.76 -19.17 52.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.259 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -82.68 -10.58 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.357 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.94 3.49 42.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 m -83.78 138.83 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.975 0.417 . . . . 0.0 111.207 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -126.45 179.41 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.134 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.47 149.73 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.77 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.479 HG22 ' HB ' ' A' ' 50' ' ' ILE . 13.6 tt -141.12 156.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.653 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.9 tt 73.2 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.734 0.813 . . . . 0.0 110.364 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 55.45 92.99 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.584 0.552 . . . . 0.0 112.149 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -61.05 -53.37 58.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.67 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -84.79 81.21 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -102.94 120.15 40.11 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -97.77 141.84 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -94.29 -5.81 45.87 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.843 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.17 -31.85 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.319 0.58 . . . . 0.0 109.469 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -120.86 86.35 41.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 Cg_exo -73.61 156.02 49.54 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.003 2.468 . . . . 0.0 112.969 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 48.8 Cg_exo -59.11 -13.96 21.59 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.784 2.99 . . . . 0.0 113.676 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.58 -20.89 61.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.135 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.566 ' OD1' ' HB ' ' A' ' 37' ' ' THR . 0.9 OUTLIER -78.94 1.66 22.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.333 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.95 -30.83 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.236 0.541 . . . . 0.0 110.07 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.809 HG13 ' H ' ' A' ' 32' ' ' ASP . 5.6 pt -118.9 -86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.98 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.809 ' H ' HG13 ' A' ' 31' ' ' ILE . 22.8 t70 68.7 -51.16 0.57 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.747 0.819 . . . . 0.0 112.884 175.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.62 -0.52 32.38 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -174.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.3 t-20 -143.46 113.84 5.62 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 7.3 Cg_exo -74.59 19.19 0.47 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.051 2.501 . . . . 0.0 114.148 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -71.87 -46.05 59.24 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.001 -0.437 . . . . 0.0 109.99 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.566 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 23.6 p -91.47 153.31 19.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -154.05 154.18 33.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.185 0.516 . . . . 0.0 111.661 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -95.65 125.53 40.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.466 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -114.03 159.21 20.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.097 0.475 . . . . 0.0 110.753 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 126' ' ' ALA . 15.9 m -94.61 123.95 38.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.913 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 27.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.678 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.517 ' HA2' ' O ' ' A' ' 124' ' ' HIS . . . 88.06 -11.78 66.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.414 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.0 ttt -86.46 103.87 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.976 0.417 . . . . 0.0 111.763 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.44 150.89 40.06 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.604 171.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.874 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 4.4 Cg_exo -78.22 161.07 91.11 Favored 'Cis proline' 0 C--N 1.343 0.262 0 C-N-CA 123.716 -1.368 . . . . 0.0 112.234 -1.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.588 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 4.3 pt20 -118.95 126.85 52.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.602 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG2' HG21 ' A' ' 117' ' ' ILE . 28.8 mt-10 -118.71 133.46 55.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.636 -177.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -145.81 142.78 29.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.479 ' HB ' HG22 ' A' ' 16' ' ' ILE . 55.2 mt -114.71 135.28 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.026 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -105.88 126.63 61.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.7 t -102.15 114.17 28.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.119 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' HE1' ' HG ' ' A' ' 7' ' ' CYS . 98.6 m-85 -78.49 -16.6 57.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.087 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 69.35 -5.62 1.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.01 0.524 . . . . 0.0 111.669 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HB2' ' HG ' ' A' ' 139' ' ' SER . 49.8 pttt -151.62 166.91 29.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.312 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -82.65 124.13 29.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.719 ' HB ' HD11 ' A' ' 6' ' ' LEU . 19.1 m -130.45 141.66 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.063 0.459 . . . . 0.0 111.459 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.2 ttm180 -89.42 114.78 26.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -98.2 126.31 51.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 23.7 tt0 -107.68 -36.87 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 87.5 mtt180 -137.89 142.55 40.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 111.015 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.9 mp -110.03 111.76 23.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.856 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 53.0 t -91.0 98.72 8.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 62' ' ' LEU . 11.1 mm -102.21 112.59 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.05 -174.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -107.56 102.22 11.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 109.993 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -151.11 176.58 11.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.533 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.56 ' HD2' ' HG ' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -141.26 153.96 45.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 45.6 m-85 77.14 -25.9 0.19 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.689 0.796 . . . . 0.0 112.632 172.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 118' ' ' ILE . 48.5 t -53.84 146.04 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.95 0.5 . . . . 0.0 111.793 -178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -120.23 -63.65 1.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.482 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.546 ' HG1' ' HB ' ' A' ' 119' ' ' VAL . 17.0 p -108.88 115.73 30.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.727 HD12 ' HD2' ' A' ' 116' ' ' PHE . 19.8 tp -116.25 108.47 16.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.351 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 35.0 tttp -89.79 124.43 34.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.553 -176.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.59 HD13 HG13 ' A' ' 89' ' ' ILE . 20.3 mt -122.18 108.76 22.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.381 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.726 ' HG3' ' HA ' ' A' ' 87' ' ' GLN . 2.6 mp0 -102.26 150.5 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.9 ptpp? -107.06 141.17 38.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.671 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 52.9 m -135.1 127.3 30.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.6 p -105.53 -3.68 22.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.901 0.381 . . . . 0.0 111.271 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 m -76.96 163.56 26.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -84.4 -16.49 42.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -78.96 149.86 74.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.25 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.14 38.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 26.4 m -136.69 -173.95 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.9 t0 64.15 80.45 0.23 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.128 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.414 ' CE2' ' HA ' ' A' ' 83' ' ' VAL . 96.9 m-85 -106.71 100.56 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.22 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -88.86 111.6 22.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.732 178.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.726 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 10.3 tt0 -50.72 114.36 1.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -175.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -92.96 -72.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.382 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.59 HG13 HD13 ' A' ' 74' ' ' ILE . 1.8 pt -141.8 114.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.434 0.635 . . . . 0.0 111.917 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -78.96 96.07 5.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' HD11 ' A' ' 105' ' ' ILE . 28.6 tptp -100.16 143.01 30.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.235 0.541 . . . . 0.0 111.43 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.05 141.23 32.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.537 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.499 HD11 ' HB ' ' A' ' 69' ' ' VAL . 6.5 tt -126.23 146.22 50.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 93' ' ' LEU . 44.3 t -119.15 142.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.618 -174.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -71.58 92.0 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.682 HG22 HE21 ' A' ' 99' ' ' GLN . 4.3 p -78.56 131.54 36.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.34 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -83.46 127.92 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.418 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.98 17.73 59.06 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.619 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.682 HE21 HG22 ' A' ' 96' ' ' THR . 22.9 tt0 -140.59 127.96 21.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.859 0.362 . . . . 0.0 110.72 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.56 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 2.8 tt -89.52 115.97 27.33 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 171.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -73.14 89.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.213 0.53 . . . . 0.0 111.591 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.93 95.3 10.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -110.46 122.91 48.88 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.22 -175.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.93 102.02 11.42 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 80.4 mt -79.66 106.47 10.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.17 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -76.3 91.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.508 0.67 . . . . 0.0 110.345 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.08 120.54 26.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.64 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -98.98 113.71 26.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.89 -176.28 36.43 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.101 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -131.59 137.97 48.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.76 165.33 34.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.299 0.571 . . . . 0.0 111.847 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 m -121.25 -33.46 3.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.719 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.671 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 40.6 m-85 -129.89 146.9 51.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.389 173.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 52.0 mt -129.98 130.04 44.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 117' ' ' ILE . 7.8 ttm180 -106.42 115.38 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.727 ' HD2' HD12 ' A' ' 72' ' ' LEU . 75.3 m-85 -98.35 113.57 25.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.151 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.744 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.1 mt -110.94 101.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.106 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.596 HG21 HG13 ' A' ' 69' ' ' VAL . 59.6 mt -82.58 97.17 4.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 174.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.874 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.0 t -72.17 -57.4 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.053 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -134.83 156.34 49.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.054 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.05 161.15 38.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.16 -18.51 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.27 0.557 . . . . 0.0 110.159 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.52 ' HB2' ' HB3' ' A' ' 68' ' ' PHE . 4.4 m-20 -124.24 168.66 12.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.786 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.517 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 64.8 t60 -91.08 10.4 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.969 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -149.91 155.39 39.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.485 ' H ' ' HB ' ' A' ' 41' ' ' THR . . . -149.08 158.6 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.2 t -143.15 131.49 22.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.332 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.51 138.15 26.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.3 -23.69 8.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.828 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.2 p -171.11 142.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.994 0.426 . . . . 0.0 110.834 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.01 128.94 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.856 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 59.7 m -128.0 148.56 50.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.099 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -125.55 102.53 7.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 94.6 mt-10 -94.54 118.9 32.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.238 0.542 . . . . 0.0 111.23 -175.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.516 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -170.3 -127.19 0.92 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.3 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.425 ' OG1' ' HD2' ' A' ' 58' ' ' ARG . 12.0 p -140.68 141.33 35.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.726 0.298 . . . . 0.0 110.207 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.5 127.75 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.665 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.25 -56.56 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.605 ' HG ' ' HB2' ' A' ' 55' ' ' LYS . 59.6 p . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.404 176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp 62.57 51.95 3.05 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.6 tt -95.3 140.04 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.336 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.37 91.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.0 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 24.2 mt -82.12 5.08 20.75 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -170.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.5 m -94.48 -3.26 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.4 150.89 31.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.838 -174.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -67.54 -22.02 65.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.751 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -64.29 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.606 174.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -84.9 2.03 44.54 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.129 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 8.05 84.01 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 m -78.07 146.11 35.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.075 0.464 . . . . 0.0 110.181 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.553 ' HA ' HD11 ' A' ' 31' ' ' ILE . 42.0 tt0 -146.19 142.4 28.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.252 -171.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -86.96 135.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.144 0.497 . . . . 0.0 110.619 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.445 HG22 ' HB ' ' A' ' 50' ' ' ILE . 13.1 tt -137.56 139.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.281 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 tt 61.99 84.4 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.353 0.597 . . . . 0.0 110.331 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.93 121.28 42.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -54.47 -52.5 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.536 -175.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -132.26 118.91 20.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.543 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -117.91 118.25 31.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.008 0.433 . . . . 0.0 110.186 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.207 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.25 -16.31 56.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.329 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -101.45 -15.05 17.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.43 0.634 . . . . 0.0 109.518 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -133.88 74.12 69.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.385 -0.825 . . . . 0.0 108.987 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 Cg_endo -83.71 135.5 6.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.046 2.498 . . . . 0.0 113.155 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 20.2 Cg_exo -66.77 -12.35 35.61 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.228 2.619 . . . . 0.0 111.705 177.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.49 -26.76 68.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.995 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.497 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 16.7 t-20 -64.88 -25.73 68.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.458 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.25 -42.26 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.469 -177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 14' ' ' GLU . 36.6 pt -91.72 -1.33 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.491 0.662 . . . . 0.0 110.401 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 29.6 t70 -87.46 -48.55 7.86 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.986 -176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.54 66.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.991 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -89.28 118.11 68.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 117.678 0.739 . . . . 0.0 110.385 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.18 2.95 3.28 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.999 2.466 . . . . 0.0 112.717 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.54 -23.65 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -132.68 166.59 21.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.324 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -153.07 151.19 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 140.36 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.667 HG21 ' HG2' ' A' ' 47' ' ' GLN . 80.4 p -78.17 116.35 18.56 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 45.8 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -171.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.51 33.77 46.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.31 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.7 tpt -113.31 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.588 0.232 . . . . 0.0 110.541 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.95 136.43 19.45 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.62 173.51 39.85 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.2 -1.583 . . . . 0.0 111.979 -2.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.686 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 0.7 OUTLIER -107.5 150.31 26.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -176.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -164.37 119.67 1.49 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.144 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 44.2 p90 -134.83 145.71 48.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.226 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.445 ' HB ' HG22 ' A' ' 16' ' ' ILE . 55.5 mt -114.57 128.63 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 -175.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.4 mt -110.49 113.59 44.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 17.9 p -98.88 137.75 36.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.492 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 55' ' ' LYS . 79.9 m-85 -83.35 -14.03 53.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 70.76 -17.18 0.3 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.836 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 53' ' ' PHE . 25.8 pttm -136.77 161.98 34.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.695 ' HB3' ' HB2' ' A' ' 139' ' ' SER . 22.0 t-80 -82.74 105.71 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.36 169.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.536 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.4 120.7 37.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 91.6 mt -89.64 135.32 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.791 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -101.65 -35.73 9.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.787 0.327 . . . . 0.0 110.139 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -161.73 159.96 27.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.143 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.17 134.1 52.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.995 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.49 106.85 21.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 131' ' ' VAL . 26.5 mt -115.82 142.17 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.263 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -126.77 102.11 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -135.13 154.78 51.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 0.2 OUTLIER -129.32 140.44 51.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.921 0.391 . . . . 0.0 111.195 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 68.64 30.26 5.09 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.518 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.632 ' HB ' HD22 ' A' ' 93' ' ' LEU . 63.9 t -100.43 135.21 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 76.8 mt-30 -95.49 -85.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 110.313 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 m -97.83 115.63 28.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.073 -174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.72 109.32 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.654 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 48.2 tttp -92.0 129.68 37.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.639 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.52 HD11 HG13 ' A' ' 89' ' ' ILE . 45.0 mt -114.91 108.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.111 0.481 . . . . 0.0 111.238 -176.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.68 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.79 141.79 28.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.4 175.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.3 ptmm? -118.08 119.02 33.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.001 0.429 . . . . 0.0 110.296 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.994 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 71.1 m -101.79 131.63 47.99 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -107.41 10.79 29.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.301 0.572 . . . . 0.0 110.738 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 p -92.5 163.01 13.98 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.105 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 80' ' ' LYS . 30.9 mtmt -69.28 -30.3 68.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.525 0.679 . . . . 0.0 109.637 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.522 ' HB2' HG21 ' A' ' 83' ' ' VAL . 33.6 mt-10 -93.06 154.26 41.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.265 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.7 45.7 1.84 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.019 2.479 . . . . 0.0 112.057 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 81' ' ' GLU . 27.3 m -122.13 -162.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.08 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.2 t70 73.68 -74.78 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.784 0.677 . . . . 0.0 111.528 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.68 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 56.4 m-85 59.58 90.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.595 0.559 . . . . 0.0 111.583 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -82.24 125.27 30.75 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.25 107.74 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 9.4 t90 -102.3 -79.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -173.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.52 HG13 HD11 ' A' ' 74' ' ' ILE . 2.5 pt -140.27 143.68 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -175.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.454 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 56.1 mt-10 -124.82 119.61 29.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -115.43 140.16 49.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.072 0.463 . . . . 0.0 111.138 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 7.5 p-10 -110.6 119.91 40.7 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.053 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.632 HD22 ' HB ' ' A' ' 69' ' ' VAL . 7.6 mp -86.97 171.83 10.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.135 -173.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.14 154.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.883 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.5 100.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.432 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -90.36 117.74 29.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.491 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -102.08 100.9 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.352 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 38.81 86.0 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.377 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -137.12 141.2 42.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.51 0.195 . . . . 0.0 110.799 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.17 97.17 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -88.01 148.8 24.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.402 ' N ' HD21 ' A' ' 102' ' ' ASN . 0.9 OUTLIER -109.52 117.34 33.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.03 93.33 8.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.73 84.84 7.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.452 0.644 . . . . 0.0 109.5 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.7 mt -86.33 107.22 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.978 -174.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.9 t -76.86 95.31 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.31 0.576 . . . . 0.0 109.814 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.95 103.2 3.73 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.626 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.612 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.5 p80 -105.0 116.98 32.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.446 0.641 . . . . 0.0 111.734 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 161.86 35.68 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.961 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -91.51 141.66 28.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 117.086 0.443 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.06 159.09 35.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 p -115.68 -26.59 7.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.528 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.994 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 34.2 m-85 -130.43 133.32 46.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.177 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.8 120.89 41.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.639 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 68.9 ttt180 -106.49 110.79 23.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.228 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -97.63 106.62 18.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 65.3 mt -101.4 106.91 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.686 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 31.8 mt -89.14 101.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 t -76.64 -34.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -152.0 156.7 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.913 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.82 157.07 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -71.05 -28.12 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 110.204 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.36 -172.3 2.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -91.51 1.35 57.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.286 0.565 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.83 129.34 19.06 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.929 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -100.39 127.63 46.67 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 19.4 m -122.31 113.92 20.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.982 0.42 . . . . 0.0 110.836 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.2 p -87.62 135.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -104.29 -49.12 3.66 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.944 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -143.84 135.58 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 64' ' ' ILE . 25.8 m -133.47 137.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.5 m -147.74 132.9 18.33 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.01 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.4 110.24 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -94.3 112.81 24.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.183 0.516 . . . . 0.0 110.166 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -158.52 -136.64 2.1 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.308 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.6 p -139.31 146.39 40.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 m -79.1 137.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 41.3 t -116.21 -69.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.93 0.395 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.695 ' HB2' ' HB3' ' A' ' 56' ' ' HIS . 1.6 m . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 89.3 mtt180 . . . . . 0 C--O 1.235 0.306 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 2' ' ' ARG . 20.6 tptt 69.64 106.75 0.06 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.947 0.879 . . . . 0.0 109.454 -166.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 tt -150.33 145.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.454 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.73 91.38 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.529 0.68 . . . . 0.0 110.086 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.2 mt -73.87 -16.23 61.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.044 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 94.4 m -86.38 -3.67 59.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.83 145.73 53.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 t -67.34 -20.4 65.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 -19.99 65.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.097 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.22 -0.15 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.845 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.79 13.25 65.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.548 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 m -94.51 138.01 32.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 31' ' ' ILE . 36.9 mt-10 -133.64 167.12 21.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.217 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 HG13 HG12 ' A' ' 51' ' ' ILE . 18.7 m -102.55 155.69 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.754 0.312 . . . . 0.0 110.428 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.833 HG12 HD11 ' A' ' 17' ' ' LEU . 13.9 tt -144.23 155.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.833 HD11 HG12 ' A' ' 16' ' ' ILE . 8.4 mp 69.33 -94.7 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.465 0.706 . . . . 0.0 110.941 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.98 116.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.867 0.729 . . . . 0.0 111.828 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.7 p -80.33 18.66 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.724 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 32.3 t -164.49 133.71 3.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 110.389 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 m -153.09 113.46 4.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.01 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.15 148.76 21.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.5 -29.45 70.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 111.391 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -105.19 -30.32 9.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.596 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -115.21 81.12 7.82 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.005 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -93.14 166.87 2.44 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.124 2.549 . . . . 0.0 112.434 -175.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.38 -9.82 11.8 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.128 2.552 . . . . 0.0 113.265 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.93 -36.93 60.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.933 0.397 . . . . 0.0 110.641 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.06 2.01 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.034 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.7 mt -79.48 -34.37 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.624 HG13 ' H ' ' A' ' 32' ' ' ASP . 11.4 pt -109.25 -104.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.897 175.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.624 ' H ' HG13 ' A' ' 31' ' ' ILE . 47.2 t0 69.09 -53.85 0.58 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.503 0.721 . . . . 0.0 112.18 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.48 13.3 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -172.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 75.3 m-20 -126.89 112.56 22.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.367 . . . . 0.0 110.773 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 2.7 Cg_endo -82.74 19.71 1.26 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.685 2.923 . . . . 0.0 112.382 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.77 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.814 HG23 ' H ' ' A' ' 38' ' ' PHE . 1.4 m -91.46 -169.39 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.34 -170.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.814 ' H ' HG23 ' A' ' 37' ' ' THR . 43.0 p90 -153.49 157.86 40.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.666 ' HE3' HG13 ' A' ' 128' ' ' VAL . 66.8 t90 -110.53 137.54 48.08 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -121.99 148.43 44.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.016 0.436 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.65 HG21 ' HB3' ' A' ' 47' ' ' GLN . 3.0 m -91.97 159.58 15.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.773 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 p -76.75 1.75 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.86 12.63 68.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.784 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 70.1 mtm -92.27 101.61 14.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.649 -0.324 . . . . 0.0 110.571 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.67 141.5 60.23 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.62 151.17 88.53 Favored 'Cis proline' 0 C--N 1.344 0.322 0 C-N-CA 123.579 -1.425 . . . . 0.0 111.887 -3.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.65 ' HB3' HG21 ' A' ' 41' ' ' THR . 33.7 mt-30 -106.91 115.6 30.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.89 152.7 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.487 0.661 . . . . 0.0 112.608 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -157.15 155.01 30.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.015 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.766 HG12 ' HG3' ' A' ' 115' ' ' ARG . 49.3 mt -120.49 141.71 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.447 HG12 HG13 ' A' ' 15' ' ' VAL . 46.8 mt -113.56 126.72 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 9.3 p -107.59 122.71 47.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.1 m-85 -81.06 -18.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.713 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 67.0 9.04 6.59 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.995 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HG3' HG12 ' A' ' 57' ' ' VAL . 48.6 pttt -158.89 157.42 31.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.996 -176.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -85.52 105.64 16.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG12 ' HG3' ' A' ' 55' ' ' LYS . 17.9 m -112.55 162.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.109 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 38.7 ttm180 -105.5 112.75 25.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.768 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 HG21 ' HH2' ' A' ' 88' ' ' TRP . 87.3 mt -93.76 126.8 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.755 0.312 . . . . 0.0 110.924 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -107.88 -28.86 9.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.823 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 50.4 mtm180 -149.85 150.87 32.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.712 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.0 mp -120.36 107.57 13.09 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 132' ' ' SER . 61.8 t -90.72 101.07 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mt -111.84 132.78 59.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.34 0.59 . . . . 0.0 111.335 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' A' ' 130' ' ' SER . 51.5 mt-30 -113.98 102.29 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.037 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -144.29 155.1 43.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.923 0.392 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -116.03 152.33 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.964 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.452 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 45.4 m-85 75.99 -31.46 0.2 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.09 0.869 . . . . 0.0 113.198 169.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 118' ' ' ILE . 58.7 t -53.09 135.72 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 122.685 0.394 . . . . 0.0 112.006 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 52.9 tt0 -115.91 -78.25 0.58 Allowed 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 175.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -90.45 101.31 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.365 0.602 . . . . 0.0 111.237 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.6 tp -108.68 110.15 21.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.468 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.49 ' HZ3' ' CD ' ' A' ' 75' ' ' GLU . 12.3 tttt -96.37 115.84 28.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.74 HD13 HG13 ' A' ' 89' ' ' ILE . 22.6 mt -96.85 111.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.441 . . . . 0.0 110.876 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.707 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 1.4 tp10 -95.94 150.74 20.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.741 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.2 ptmm? -127.13 140.16 52.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.086 0.47 . . . . 0.0 110.754 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.764 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 63.1 m -127.17 137.0 52.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.97 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 p -114.96 15.29 17.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.414 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 t -94.12 178.7 5.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.445 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -80.62 -20.92 42.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.652 0.739 . . . . 0.0 109.557 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.663 ' HB2' HG21 ' A' ' 83' ' ' VAL . 37.7 mt-10 -107.62 160.85 25.16 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.648 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.24 35.54 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.068 2.512 . . . . 0.0 112.144 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 81' ' ' GLU . 35.3 m -122.42 -179.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.349 -177.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t0 61.14 93.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.034 0.834 . . . . 0.0 109.843 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 47.8 m-85 -98.13 118.04 33.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.774 -168.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.741 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.419 ' OE1' ' HE2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.49 119.14 19.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.403 ' HH2' HG21 ' A' ' 59' ' ' ILE . 6.6 t90 -102.94 -83.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.865 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.74 HG13 HD13 ' A' ' 74' ' ' ILE . 8.8 pt -145.85 133.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.327 . . . . 0.0 111.624 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.5 133.8 52.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -131.11 144.91 51.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.049 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.3 p-10 -98.85 108.05 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.774 0.797 . . . . 0.0 108.957 171.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 tt -80.4 117.8 21.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.818 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.26 109.54 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -65.94 125.52 25.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.19 0.519 . . . . 0.0 111.178 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 16.6 p -81.01 117.81 21.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.964 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.7 116.26 16.23 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 120.863 0.364 . . . . 0.0 110.334 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.01 -22.88 8.62 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 119.986 -1.102 . . . . 0.0 112.965 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.533 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 48.3 mt-30 -100.23 139.47 35.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.821 0.343 . . . . 0.0 111.479 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.86 117.82 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -119.04 155.86 30.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.907 0.384 . . . . 0.0 110.968 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.83 104.99 14.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 171.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.33 120.17 32.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.626 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -92.8 103.14 15.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.96 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 68.4 mt -79.94 102.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 176.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -75.12 110.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.332 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.0 136.15 11.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.375 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -98.98 122.4 42.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 150.5 17.37 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.871 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 m -111.78 129.9 55.98 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.5 156.77 38.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.57 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -105.71 -24.74 12.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.128 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.764 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 66.0 m-85 -129.87 135.24 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.108 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.517 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 64.9 mt -114.75 121.4 43.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.766 ' HG3' HG12 ' A' ' 50' ' ' ILE . 31.0 ttt-85 -106.75 100.29 9.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.329 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.84 109.56 18.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.5 mt -107.1 100.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.444 HG21 HG12 ' A' ' 69' ' ' VAL . 49.1 mt -83.78 101.45 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.3 -48.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.765 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.5 m -150.28 167.5 26.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 68' ' ' PHE . . . -148.24 168.61 22.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -75.62 -18.27 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.466 0.65 . . . . 0.0 109.721 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.36 -174.72 2.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -105.79 -17.19 14.45 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.48 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.85 126.96 55.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.679 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.48 127.83 53.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.9 t -127.73 127.44 43.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.666 HG13 ' HE3' ' A' ' 39' ' ' TRP . 14.1 p -101.97 137.72 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.192 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.56 -49.94 5.42 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.44 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . 19.9 m -160.04 145.33 15.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.13 149.67 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.654 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 30.6 t -150.77 152.1 33.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -126.59 125.09 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 41.0 mt-10 -99.97 133.16 44.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.049 0.452 . . . . 0.0 110.446 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.33 -145.7 10.05 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.5 p -138.57 152.74 48.44 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.03 0.443 . . . . 0.0 110.988 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.57 118.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.969 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.2 t -86.9 -52.4 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.89 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.084 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.525 ' HA ' HG21 ' A' ' 136' ' ' THR . 29.2 ptt180 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 62.51 47.74 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.398 0.618 . . . . 0.0 109.971 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 tt -95.16 142.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.908 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.38 91.43 2.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.474 HD22 HG11 ' A' ' 57' ' ' VAL . 20.0 mt -82.63 10.75 6.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.661 -172.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 34.6 t -94.53 -3.57 49.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.693 0.282 . . . . 0.0 111.686 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 74.0 mt -87.18 149.9 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.281 0.562 . . . . 0.0 112.181 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 31' ' ' ILE . 8.5 p -67.51 -24.3 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.7 m -69.21 -18.05 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.51 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 59.3 mm-40 -89.8 -8.28 52.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.006 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.92 61.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.169 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -72.55 139.3 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 110.776 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -128.36 128.6 44.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.61 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.92 118.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.352 0.596 . . . . 0.0 110.087 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.593 HG23 ' HB ' ' A' ' 50' ' ' ILE . 11.2 tt -114.55 147.1 18.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.018 -174.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt 75.76 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.933 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.46 90.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.722 0.639 . . . . 0.0 111.91 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.157 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -114.87 135.83 53.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.022 0.439 . . . . 0.0 110.732 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.7 m -158.36 157.02 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.021 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 26.4 t70 -119.15 151.07 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -64.24 -41.53 96.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 -177.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 3.0 mptp? -97.83 -3.38 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 0.0 111.05 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.5 m80 -134.49 73.32 68.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -88.6 145.63 5.79 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.795 2.33 . . . . 0.0 113.106 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HA ' HG13 ' A' ' 30' ' ' ILE . 28.0 Cg_endo -65.46 -12.48 35.17 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.549 2.166 . . . . 0.0 111.312 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -60.63 -26.76 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.459 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 6.2 m-20 -93.02 2.04 56.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.776 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.469 HG13 ' HA ' ' A' ' 27' ' ' PRO . 57.3 mt -71.29 -40.39 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 9' ' ' SER . 19.0 pt -78.3 -12.77 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.275 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 18.6 t70 -70.15 -56.27 7.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.19 176.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.17 0.31 65.77 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.867 -0.682 . . . . 0.0 114.103 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -88.76 143.25 31.46 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 117.652 0.726 . . . . 0.0 110.762 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.03 18.83 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.601 2.867 . . . . 0.0 113.543 -175.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -72.45 -55.33 7.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.141 0.496 . . . . 0.0 110.922 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.3 p -131.81 122.8 26.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.786 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -103.34 164.33 11.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.616 ' HE3' HG11 ' A' ' 128' ' ' VAL . 90.7 t90 -87.6 129.66 35.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 0.0 110.855 -177.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -132.65 149.2 52.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.912 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -88.51 161.57 16.91 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.24 0.543 . . . . 0.0 111.371 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -6.7 59.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.014 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.49 27.14 7.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.307 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 ttp -110.44 107.32 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.799 0.333 . . . . 0.0 110.733 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -107.19 146.0 32.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.237 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.42 155.3 81.61 Favored 'Cis proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.67 -1.388 . . . . 0.0 111.933 -1.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.475 HE21 HD12 ' A' ' 118' ' ' ILE . 12.1 pt20 -121.29 152.29 39.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.4 147.9 22.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.48 142.67 29.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.633 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.593 ' HB ' HG23 ' A' ' 16' ' ' ILE . 54.7 mt -111.12 135.0 51.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.667 0.27 . . . . 0.0 110.328 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.4 mt -112.79 118.71 58.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.989 0.424 . . . . 0.0 110.157 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 m -93.2 128.66 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.08 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -77.1 -26.67 53.59 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.187 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 69.04 1.02 3.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.793 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' HG12 ' A' ' 57' ' ' VAL . 51.5 pttt -150.08 -175.65 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -104.04 105.6 15.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.989 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 6' ' ' LEU . 12.0 m -128.61 169.9 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 0.0 110.895 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 9.2 ptm85 -130.39 137.84 50.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.242 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.6 mt -101.08 133.6 43.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.44 -37.53 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.442 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.678 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 54.8 ttp180 -151.64 150.93 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.147 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.4 129.98 52.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 51.5 t -91.14 102.25 13.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mm -107.68 111.63 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.312 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -122.64 102.15 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.113 0.482 . . . . 0.0 109.818 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.4 p -150.44 -177.4 5.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 100' ' ' LEU . 8.6 m-85 -141.13 157.02 45.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.321 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 76.58 -23.93 0.23 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 167.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.696 HG13 HG22 ' A' ' 118' ' ' ILE . 61.2 t -59.53 135.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -176.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 71.8 mt-30 -95.17 -81.39 0.4 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.235 0.54 . . . . 0.0 109.6 171.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -98.66 109.73 22.44 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.59 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 ' HD2' ' A' ' 116' ' ' PHE . 27.2 tp -104.44 111.85 24.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.184 177.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 22.2 mtpp -89.69 110.12 21.04 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.546 HD13 HG13 ' A' ' 89' ' ' ILE . 31.5 mt -100.5 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 136.27 36.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.113 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.8 ptmm? -106.91 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.472 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.755 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 48.4 t -111.55 144.22 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.481 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 3.8 m -132.47 23.22 4.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.901 0.858 . . . . 0.0 109.002 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.44 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 13.3 m -82.78 -178.24 7.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.121 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -85.58 -29.1 24.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' OE1' ' HB3' ' A' ' 79' ' ' SER . 1.2 pm0 -99.18 159.81 29.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.931 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -79.05 32.91 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.0 2.467 . . . . 0.0 113.32 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 27.5 m -135.81 -173.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.159 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.31 73.75 0.46 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.633 0.583 . . . . 0.0 110.416 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 77' ' ' SER . 0.2 OUTLIER -123.13 161.82 23.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.451 -174.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.35 148.6 27.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.996 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.495 ' NE2' ' HB2' ' A' ' 90' ' ' GLU . 35.5 tp60 -64.23 99.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.593 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 11.1 t90 -87.36 -82.45 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.321 -176.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.546 HG13 HD13 ' A' ' 74' ' ' ILE . 8.5 pt -133.28 108.74 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.695 0.759 . . . . 0.0 111.137 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.495 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . 27.6 tt0 -89.13 96.74 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -100.34 114.65 28.33 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.044 -169.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.3 p-10 -97.05 143.61 27.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 171.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -126.1 169.98 12.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.754 0.311 . . . . 0.0 110.468 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.16 132.7 56.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -69.41 138.98 54.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.697 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 10.3 p -117.32 138.47 51.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.14 0.495 . . . . 0.0 111.888 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 118.34 36.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.769 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.63 30.84 63.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.875 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.697 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 41.6 tt0 -152.02 125.17 8.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.723 0.296 . . . . 0.0 110.267 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -86.46 123.18 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.15 91.47 7.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 111.627 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.13 95.01 7.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -103.04 106.47 17.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.678 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 9.8 pt-20 -85.81 99.02 11.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.882 0.849 . . . . 0.0 110.026 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mm -80.17 113.14 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.703 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 p -83.25 87.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.023 0.916 . . . . 0.0 110.046 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.0 117.32 25.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.208 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.32 107.88 19.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.13 167.29 39.73 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.3 m -111.18 143.06 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.43 153.24 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 12.5 p -111.92 -27.44 8.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.789 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.755 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 96.9 m-85 -131.55 126.38 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.948 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 54.5 mt -114.78 124.27 51.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.496 ' HG3' HG12 ' A' ' 50' ' ' ILE . 66.7 ttt180 -106.52 105.57 15.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.451 ' HD2' HD13 ' A' ' 72' ' ' LEU . 42.3 m-85 -89.11 106.66 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 49.5 mt -107.97 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.017 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.696 HG22 HG13 ' A' ' 69' ' ' VAL . 49.6 mt -88.7 96.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.51 -51.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -133.17 154.33 50.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.693 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.95 158.74 43.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.082 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.0 -6.94 54.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.064 0.459 . . . . 0.0 110.237 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -135.5 177.3 7.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -84.27 -21.81 30.96 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -110.72 122.38 47.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.286 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.82 108.77 17.88 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.6 p -112.3 133.92 54.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.672 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.616 HG11 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -103.59 133.81 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -97.32 -47.29 5.77 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.241 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.8 p -157.35 132.09 8.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 0.0 111.317 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 17.5 m -133.3 146.3 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.472 173.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 44.0 m -150.67 139.71 21.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.231 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.49 112.21 25.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -97.03 115.57 27.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.372 0.606 . . . . 0.0 110.672 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -160.05 -143.67 3.74 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.161 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 2' ' ' ARG . 24.5 p -136.67 145.38 44.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.816 0.341 . . . . 0.0 110.658 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.59 99.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.41 -45.94 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.241 0.543 . . . . 0.0 109.706 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 172.581 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.701 ' HA ' HG21 ' A' ' 136' ' ' THR . 3.7 ptm180 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.581 0.705 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -152.17 92.58 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -142.15 141.74 28.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.142 -173.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.41 86.17 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.451 HD12 ' HB ' ' A' ' 57' ' ' VAL . 90.9 mt -71.94 -7.19 47.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -170.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.731 ' O ' HG21 ' A' ' 31' ' ' ILE . 73.7 m -93.82 -4.14 50.69 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 38.7 mt -69.52 148.83 48.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.959 0.409 . . . . 0.0 111.632 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -69.69 -20.78 63.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -71.74 -20.79 61.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 54.2 mm-40 -93.57 10.84 30.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.051 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.73 15.9 78.48 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.218 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -85.44 141.86 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.056 0.428 . . . . 0.0 110.118 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.35 153.71 48.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.045 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG13 HG12 ' A' ' 51' ' ' ILE . 28.5 m -106.95 145.21 14.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 17' ' ' LEU . 15.8 tt -131.59 156.42 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.931 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.707 HD11 HG12 ' A' ' 16' ' ' ILE . 10.1 mp 74.02 -90.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.64 0.776 . . . . 0.0 110.344 -174.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.09 93.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.847 0.717 . . . . 0.0 111.921 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.502 ' HB ' ' NE2' ' A' ' 47' ' ' GLN . 4.3 m -58.29 -20.4 42.46 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB3' HG23 ' A' ' 42' ' ' THR . 45.9 m -124.42 129.71 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.414 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -153.26 133.29 13.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.502 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 16.1 t70 -116.63 156.11 27.61 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -80.18 -38.45 31.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.978 0.418 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HZ1' ' HB2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -82.17 -29.76 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 m-70 -111.08 83.58 3.89 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 174.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.742 ' HD2' HG21 ' A' ' 37' ' ' THR . 89.9 Cg_endo -80.1 147.95 18.97 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.403 2.069 . . . . 0.0 112.713 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.79 5.66 1.27 Allowed 'Trans proline' 0 C--O 1.223 -0.263 0 C-N-CA 123.435 2.757 . . . . 0.0 112.725 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.48 -25.64 30.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.05 0.453 . . . . 0.0 110.584 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.441 HD21 ' HB ' ' A' ' 37' ' ' THR . 58.3 m-20 -85.09 -17.5 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 tt -73.03 -31.82 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.433 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.731 HG21 ' O ' ' A' ' 7' ' ' CYS . 1.1 mt -63.47 -40.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.468 0.651 . . . . 0.0 110.217 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 -20.8 19.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.137 -174.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.25 50.75 6.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.084 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -86.38 119.84 71.78 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.536 0.208 . . . . 0.0 110.878 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.63 -20.22 56.8 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.19 2.594 . . . . 0.0 112.85 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.71 -32.53 74.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.742 HG21 ' HD2' ' A' ' 26' ' ' PRO . 98.2 m -141.42 115.34 9.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.208 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -97.76 142.79 29.1 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -99.9 139.73 35.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.7 ' HG1' ' HB2' ' A' ' 125' ' ' PHE . 14.8 t -147.08 165.59 29.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.569 ' OG1' ' HA ' ' A' ' 125' ' ' PHE . 55.5 p -76.46 142.5 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.698 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 20' ' ' SER . 11.8 p -82.94 2.24 35.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 0.0 111.364 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.92 -16.51 18.3 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.92 -0.657 . . . . 0.0 113.18 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -87.97 105.01 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 111.43 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 93.3 m-85 -106.92 148.85 37.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.163 175.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 17.3 Cg_exo -68.03 155.7 87.7 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.889 -1.296 . . . . 0.0 112.886 -0.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HB3' ' HB ' ' A' ' 118' ' ' ILE . 48.3 tp60 -107.02 127.76 53.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.194 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.11 129.36 56.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -148.27 127.92 13.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.474 . . . . 0.0 110.018 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.435 ' HB ' HG21 ' A' ' 16' ' ' ILE . 51.6 mt -106.78 127.71 62.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.59 HG12 HG13 ' A' ' 15' ' ' VAL . 53.3 mt -105.79 119.83 55.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.0 t -94.46 127.24 40.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.561 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 84.1 m-85 -67.08 -24.53 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 64.29 21.96 12.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.421 0.629 . . . . 0.0 109.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 20.0 pttm -168.19 176.7 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.666 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 139' ' ' SER . 54.2 m80 -105.07 109.42 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.6 HG13 HG12 ' A' ' 137' ' ' VAL . 17.5 m -128.32 164.34 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.877 0.37 . . . . 0.0 111.519 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -123.5 124.07 42.03 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 75.4 mt -90.12 138.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.109 -172.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -103.08 -49.9 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.972 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 28.6 mtm180 -141.73 157.31 45.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 0.0 110.823 176.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 84.8 mt -109.99 133.05 53.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.033 174.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.544 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 99.0 t -114.24 105.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.619 HG23 HG12 ' A' ' 131' ' ' VAL . 10.7 mt -118.07 114.56 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.793 -175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -100.82 102.25 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.592 ' HB2' HG22 ' A' ' 69' ' ' VAL . 25.5 p -130.89 142.45 50.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.718 0.294 . . . . 0.0 110.964 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -110.53 141.88 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.844 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 67.39 -99.64 0.05 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.78 0.675 . . . . 0.0 110.748 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.794 HG13 ' H ' ' A' ' 70' ' ' GLN . 2.5 t 48.95 -151.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.575 0.547 . . . . 0.0 109.754 -176.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.794 ' H ' HG13 ' A' ' 69' ' ' VAL . 10.1 tt0 172.68 -73.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 109.397 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -116.39 104.58 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.995 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 tp -110.36 114.53 28.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.535 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 64.8 tttp -94.08 111.37 23.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.4 mt -93.17 102.75 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -102.85 136.73 42.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HG3' ' HB3' ' A' ' 86' ' ' GLU . 17.2 ptmt -106.65 150.91 25.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.419 -173.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 35.1 t -143.01 145.16 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.7 p -120.57 19.93 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.1 m -90.61 170.45 10.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.449 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -88.94 -24.89 22.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' ' 83' ' ' VAL . 1.4 mp0 -91.86 156.03 42.89 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.79 36.89 0.54 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.561 2.174 . . . . 0.0 112.394 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 81' ' ' GLU . 35.5 m -132.08 170.77 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 65.31 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.587 0.755 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -114.04 162.4 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.197 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 34.0 tt0 -141.54 135.79 30.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.026 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.14 134.29 52.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.404 ' CZ2' ' HB3' ' A' ' 107' ' ' ALA . 7.4 t90 -130.98 -74.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -139.85 108.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.68 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' OE2' ' HG3' ' A' ' 73' ' ' LYS . 7.5 mp0 -97.53 118.41 33.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 170.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -108.67 113.06 25.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.045 0.45 . . . . 0.0 111.227 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.99 104.51 14.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.4 159.46 15.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 112.246 -170.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.93 137.19 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.656 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -61.84 105.46 0.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.324 0.39 . . . . 0.0 111.643 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -77.81 125.09 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.642 171.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.32 119.72 39.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.611 -173.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.47 27.73 72.83 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.773 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -149.39 135.24 18.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.544 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.24 100.09 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.309 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.557 ' HB2' HG22 ' A' ' 96' ' ' THR . 54.6 tt0 -86.12 108.52 18.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.768 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.48 128.6 34.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.884 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.29 94.96 9.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.135 0.493 . . . . 0.0 110.616 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 42.9 mt-10 -88.24 97.04 10.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.027 172.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -100.62 120.97 50.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.65 -171.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 m -73.03 104.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 88' ' ' TRP . . . -137.86 103.3 4.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.492 -170.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 m-70 -98.99 110.18 22.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.147 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.24 157.24 29.56 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.417 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -107.87 132.9 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.04 154.82 31.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.992 0.425 . . . . 0.0 111.216 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.3 p -110.27 -37.26 5.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.987 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 87.7 m-85 -122.4 134.2 54.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.99 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 76' ' ' LYS . 57.6 mt -120.39 124.96 46.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 172.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.16 105.88 16.12 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -83.64 107.4 16.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.473 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.3 mt -101.12 102.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.96 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 39.8 mt -82.04 94.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.764 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 7.7 t -157.34 157.21 33.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.079 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.45 159.19 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.069 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -70.62 -21.15 62.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.252 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -130.84 -172.36 2.8 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -84.96 -26.09 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.7 ' HB2' ' HG1' ' A' ' 40' ' ' THR . 45.3 p90 -118.78 122.38 42.28 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.47 0.653 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.51 110.77 22.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.126 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.7 m -104.89 120.34 41.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.071 0.462 . . . . 0.0 110.914 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -103.97 128.14 57.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.18 -44.88 13.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.328 -173.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.4 p -161.4 148.84 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.177 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.619 HG12 HG23 ' A' ' 64' ' ' ILE . 10.6 m -131.1 134.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.639 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.544 ' OG ' ' HB ' ' A' ' 63' ' ' VAL . 62.1 p -141.39 137.69 32.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.919 0.39 . . . . 0.0 111.364 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.42 102.98 12.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 58.0 mt-10 -94.22 125.36 38.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.271 0.558 . . . . 0.0 110.654 -173.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.78 -126.46 1.01 Allowed Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.749 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.701 HG21 ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -146.53 149.73 34.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.912 0.387 . . . . 0.0 111.927 -178.137 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.6 HG12 HG13 ' A' ' 57' ' ' VAL . 29.7 m -88.52 146.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.84 -32.74 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.648 0.737 . . . . 0.0 109.575 175.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' ' 56' ' ' HIS . 5.3 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.503 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.954 ' HA ' HG23 ' A' ' 136' ' ' THR . 51.9 mtp180 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.578 0.228 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.45 79.13 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.473 0.654 . . . . 0.0 109.489 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.469 HG21 ' O ' ' A' ' 135' ' ' GLY . 9.6 tt -113.45 141.55 28.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.085 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.412 ' HB3' ' HG ' ' A' ' 8' ' ' LEU . 6.9 m-20 -70.78 95.86 1.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.396 0.617 . . . . 0.0 110.436 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 22.1 mt -75.27 -15.01 60.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.521 -168.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 79.8 m -94.12 -3.35 51.21 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.977 -0.452 . . . . 0.0 112.217 -174.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 5' ' ' ASP . 16.9 mt -77.02 158.99 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -62.38 -29.03 70.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.108 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 p -66.03 -26.28 67.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.113 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.83 -0.7 57.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.29 9.21 85.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.19 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 118.95 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 110.293 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -103.48 153.23 20.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.044 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.595 HG11 HG12 ' A' ' 51' ' ' ILE . 34.6 m -92.22 149.47 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.04 0.448 . . . . 0.0 110.56 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.57 HG22 ' HB ' ' A' ' 50' ' ' ILE . 14.9 tt -139.7 152.78 22.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 3.4 tt 73.67 -88.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.751 0.821 . . . . 0.0 110.142 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 56.18 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.716 0.635 . . . . 0.0 111.773 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.949 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -107.57 109.61 21.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.21 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 p -128.27 103.46 7.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.438 0.637 . . . . 0.0 110.653 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -92.48 150.44 20.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.043 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.72 -25.42 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.284 0.564 . . . . 0.0 110.045 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -91.82 -17.01 25.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.201 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -138.76 72.44 41.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.436 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.45 ' HD2' ' ND2' ' A' ' 29' ' ' ASN . 46.9 Cg_endo -70.87 149.33 59.63 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.109 1.873 . . . . 0.0 112.003 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 35.3 Cg_exo -61.81 -13.27 29.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.134 2.556 . . . . 0.0 112.221 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -63.26 -21.93 66.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' ND2' ' HD2' ' A' ' 26' ' ' PRO . 93.5 m-20 -76.13 -12.08 60.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.565 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' A' ' 130' ' ' SER . 56.0 mt -70.13 -23.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.721 0.772 . . . . 0.0 109.442 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -111.93 -106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.608 172.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 71.93 -51.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.301 0.64 . . . . 0.0 112.58 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.39 -25.83 18.52 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.781 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.87 142.36 41.94 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 117.541 0.671 . . . . 0.0 111.179 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.65 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 88.1 Cg_endo -85.5 8.2 4.7 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.881 2.387 . . . . 0.0 112.898 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -90.42 -65.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.839 -175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -91.38 145.58 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.633 0.254 . . . . 0.0 111.025 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -138.62 177.67 7.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.669 ' HE3' HG13 ' A' ' 128' ' ' VAL . 87.2 t90 -110.51 136.24 49.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.618 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.9 t -137.16 145.31 43.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 m -88.66 135.93 33.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.569 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -81.62 39.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.042 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 10.99 82.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.728 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -83.92 88.18 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -106.59 133.7 20.14 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.415 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -86.39 153.18 48.52 Favored 'Cis proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.502 -1.457 . . . . 0.0 112.056 -1.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 1.6 pm0 -107.02 138.21 43.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.094 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -129.57 129.57 44.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.45 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -144.64 145.6 31.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.007 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' A' ' 16' ' ' ILE . 52.1 mt -119.67 137.08 54.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.19 -176.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.595 HG12 HG11 ' A' ' 15' ' ' VAL . 57.0 mt -115.65 122.11 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -100.03 126.88 46.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.87 -25.35 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.47 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.3 t60 69.0 14.03 8.82 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.502 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 139' ' ' SER . 51.2 pttt -163.67 -175.33 4.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.116 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 28.6 m170 -96.32 116.64 29.36 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.713 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 166.6 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HG3' ' CG2' ' A' ' 138' ' ' VAL . 98.5 mtt180 -127.48 124.42 38.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.188 171.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 72.7 mt -89.72 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.882 -177.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 108' ' ' HIS . 5.8 tp10 -119.89 -38.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.485 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 27.3 mtp-105 -144.05 170.98 14.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.878 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 95.9 mt -130.39 134.08 46.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.833 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -123.02 104.65 14.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.746 HG23 HG11 ' A' ' 131' ' ' VAL . 16.9 mt -119.46 135.98 58.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.92 0.39 . . . . 0.0 111.405 -172.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.04 102.88 10.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.487 ' HB2' HD23 ' A' ' 93' ' ' LEU . 17.8 m -131.84 166.52 21.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.767 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 17.9 m-85 -122.22 140.45 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 174.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 65.7 -99.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.392 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t 48.34 93.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 123.747 0.654 . . . . 0.0 112.684 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -85.25 -47.83 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 110.072 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.515 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -130.27 105.93 8.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.253 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -109.34 109.71 20.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.405 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 84.5 tttt -89.9 107.97 19.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.522 ' HB ' HG13 ' A' ' 89' ' ' ILE . 57.8 mt -92.52 100.33 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 19.2 tt0 -96.01 136.92 35.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.568 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 18.6 ttmt -106.62 135.57 47.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.704 -173.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.709 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 46.4 m -131.37 126.62 35.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.74 18.67 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 0.0 110.32 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -83.09 179.4 7.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.221 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.657 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 13.4 ptmm? -76.41 -24.58 54.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.636 0.731 . . . . 0.0 109.831 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.657 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 42.6 mt-10 -119.23 171.4 5.43 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.642 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.22 45.35 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.051 2.5 . . . . 0.0 112.455 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.57 -173.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.874 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.41 88.83 0.1 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.507 0.67 . . . . 0.0 109.374 -174.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.459 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 40.2 m-85 -109.09 112.23 24.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.703 -170.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.79 141.91 49.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -77.3 101.26 6.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.615 0.721 . . . . 0.0 109.534 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 10.6 t90 -75.31 -60.8 2.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.128 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' ' 74' ' ' ILE . 1.5 pt -149.09 103.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.193 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.04 97.08 8.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -100.6 175.03 5.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.739 0.781 . . . . 0.0 112.174 -172.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -140.22 122.46 15.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.256 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 66' ' ' SER . 52.3 tp -91.28 106.28 18.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.13 0.491 . . . . 0.0 110.329 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -81.38 98.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -70.91 121.07 17.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -174.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -71.39 136.95 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.307 175.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.64 116.31 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.343 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.67 24.02 70.95 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.37 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.708 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 44.7 tt0 -140.5 146.99 38.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 1.7 tt -84.0 115.39 22.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -87.73 102.68 14.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.844 0.354 . . . . 0.0 110.116 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.42 130.37 42.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.586 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 53.1 tt0 -92.2 93.57 8.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.766 0.793 . . . . 0.0 109.756 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.37 108.93 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.181 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.878 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 60.9 mt -121.65 135.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.601 -176.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.02 89.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.53 111.59 13.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.875 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.558 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.1 p80 -121.28 114.4 21.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.0 111.531 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.14 169.1 40.78 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.008 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m -94.28 129.7 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.175 0.488 . . . . 0.0 110.155 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.37 151.61 31.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.722 0.296 . . . . 0.0 110.614 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -108.49 -35.65 6.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.48 0.657 . . . . 0.0 110.049 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.709 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 70.2 m-85 -124.28 137.58 54.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.793 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.47 116.99 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -106.78 103.74 13.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.71 117.54 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.525 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.6 mt -116.79 108.14 24.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.8 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.505 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 42.7 mt -89.59 118.16 34.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 58.4 t -81.05 -46.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.9 t -160.2 164.63 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.88 178.88 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.16 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -85.47 -5.65 59.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 110.415 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.62 176.02 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -78.9 -7.51 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.97 158.17 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.6 135.2 34.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.592 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -133.67 143.11 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.024 0.44 . . . . 0.0 111.433 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.669 HG13 ' HE3' ' A' ' 39' ' ' TRP . 12.7 p -134.19 137.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 11.3 t-80 -91.25 -65.03 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.231 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.638 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 44.0 m -149.3 138.56 21.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 64' ' ' ILE . 35.8 m -110.74 141.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.086 172.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.611 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 39.4 m -144.29 150.92 38.63 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -128.13 139.03 52.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 45.6 mt-10 -94.18 156.24 16.65 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.469 ' O ' HG21 ' A' ' 4' ' ' ILE . . . 150.28 -154.97 25.98 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.634 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.954 HG23 ' HA ' ' A' ' 2' ' ' ARG . 34.2 p -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.668 0.27 . . . . 0.0 110.439 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.44 114.96 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.344 0.593 . . . . 0.0 110.418 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 43.6 t -72.86 -41.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.796 0.808 . . . . 0.0 109.514 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 5.2 m . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.026 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 120.992 0.425 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HZ3' ' CD ' ' A' ' 134' ' ' GLU . 40.8 tttm -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -155.47 137.63 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.104 -175.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 2.0 m-20 -64.95 96.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.467 178.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB ' ' A' ' 57' ' ' VAL . 95.3 mt -80.85 -4.28 54.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.568 ' O ' HD11 ' A' ' 31' ' ' ILE . 75.6 m -90.47 -3.8 57.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.736 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 50.5 mt -58.2 140.41 53.09 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.176 0.512 . . . . 0.0 111.563 -176.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -18.32 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.843 174.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -80.76 -10.03 59.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.047 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -101.77 -1.53 32.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.763 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.22 19.72 48.83 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.95 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -97.04 134.72 40.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.361 . . . . 0.0 110.045 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 147.17 47.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.259 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.679 HG11 HG12 ' A' ' 51' ' ' ILE . 7.9 m -95.74 106.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.849 0.833 . . . . 0.0 110.66 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.477 HG21 ' HB ' ' A' ' 50' ' ' ILE . 7.9 tt -95.77 161.91 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.385 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' N ' HG12 ' A' ' 16' ' ' ILE . 3.8 tp 76.16 -101.34 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.159 0.584 . . . . 0.0 110.924 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' ' OG ' ' A' ' 21' ' ' SER . . . 59.48 111.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 112.049 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -58.42 -28.55 65.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.79 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.402 ' HB3' HG21 ' A' ' 42' ' ' THR . 60.9 m -137.53 81.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.059 0.456 . . . . 0.0 111.52 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.436 ' OG ' ' HB2' ' A' ' 18' ' ' ALA . 18.6 m -90.44 126.9 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.686 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 12.1 t70 -92.39 146.92 23.31 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -28.73 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -172.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.686 ' HG2' ' OD1' ' A' ' 22' ' ' ASP . 22.1 pttm -89.23 -29.0 19.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.485 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 2.1 t60 -130.36 88.4 47.65 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.544 171.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 35.6 Cg_endo -63.69 156.86 54.91 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.815 2.343 . . . . 0.0 112.561 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 30' ' ' ILE . 17.2 Cg_exo -67.84 5.6 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.585 2.857 . . . . 0.0 113.478 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.0 -24.9 64.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 29' ' ' ASN . 1.5 m120 -81.0 1.93 29.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.561 HG22 HG13 ' A' ' 31' ' ' ILE . 9.3 tt -79.56 -7.96 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 109.43 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 7' ' ' CYS . 23.7 mt -137.93 -96.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.618 172.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.473 ' H ' ' HB ' ' A' ' 31' ' ' ILE . 11.2 t70 68.43 -53.65 0.54 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.321 1.048 . . . . 0.0 112.484 173.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.16 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.935 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 4.1 m120 -89.62 128.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.593 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 6.0 Cg_exo -80.19 19.59 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.952 2.434 . . . . 0.0 112.729 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.935 ' HG2' ' HB3' ' A' ' 34' ' ' ASN . 13.1 mm-40 -65.15 -52.57 54.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.998 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -141.08 -173.06 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.934 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.736 ' H ' HG22 ' A' ' 37' ' ' THR . 10.3 p90 -149.21 -178.32 6.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.545 0.212 . . . . 0.0 110.732 -176.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -103.48 131.28 50.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 t -116.47 166.03 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.627 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.429 ' HA ' HE22 ' A' ' 47' ' ' GLN . 67.8 p -89.39 153.84 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -176.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 20' ' ' SER . 37.6 p -82.66 -29.87 29.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 174.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.36 22.22 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.322 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.61 68.46 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -76.2 152.94 84.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.464 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.775 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 72.0 Cg_endo -79.59 138.27 46.36 Favored 'Cis proline' 0 C--O 1.234 0.278 0 C-N-CA 123.323 -1.532 . . . . 0.0 112.607 -0.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.429 HE22 ' HA ' ' A' ' 41' ' ' THR . 6.8 mt-30 -108.17 131.55 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -124.33 157.23 35.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -148.45 145.68 28.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.853 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' HB ' HG21 ' A' ' 16' ' ' ILE . 70.8 mt -114.28 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.393 -174.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.679 HG12 HG11 ' A' ' 15' ' ' VAL . 24.9 mt -93.84 122.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 t -102.8 120.98 41.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.2 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.475 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.0 m-85 -76.74 -24.22 53.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.768 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 65.58 6.79 4.0 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.248 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HG3' HG11 ' A' ' 57' ' ' VAL . 53.0 pttt -155.49 169.19 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.84 ' HB3' ' HB3' ' A' ' 139' ' ' SER . 10.8 t60 -98.05 105.79 17.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.06 0.457 . . . . 0.0 110.32 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.625 ' HB ' HD13 ' A' ' 6' ' ' LEU . 23.5 m -112.86 154.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.999 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 52.2 ttp180 -100.24 111.91 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.8 mt -90.64 125.76 43.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.953 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -123.57 -13.47 7.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.611 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.49 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 5.8 mmt180 -148.8 157.81 43.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.038 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.754 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 7.4 mp -131.43 132.69 44.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.91 102.23 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.511 HG23 HG12 ' A' ' 131' ' ' VAL . 20.0 mm -100.71 101.64 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.037 -177.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -99.66 101.99 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.632 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 p -159.24 166.94 30.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 80.4 m-85 -118.88 147.77 43.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.127 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 64.27 -137.0 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.438 0.461 . . . . 0.0 110.431 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.687 ' HB ' HD11 ' A' ' 93' ' ' LEU . 57.7 t 71.58 121.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.34 0.59 . . . . 0.0 111.213 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -97.45 -72.59 0.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -108.12 107.28 17.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 0.0 110.965 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' A' ' 116' ' ' PHE . 55.4 tp -108.09 109.41 20.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.277 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.605 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 68.7 mttm -89.91 120.57 31.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.898 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 89' ' ' ILE . 31.1 mt -106.72 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -96.16 147.94 23.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.893 178.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 10.2 ptmm? -123.62 154.68 38.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.023 0.44 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -138.94 143.15 38.49 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -112.16 14.18 20.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.34 0.59 . . . . 0.0 110.417 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 t -87.99 -176.41 5.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.739 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 50.8 mtpt -103.78 -10.15 18.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.254 0.55 . . . . 0.0 110.023 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 30.4 tt0 -106.6 141.9 23.79 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.757 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 16.0 Cg_exo -70.13 44.72 0.46 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.37 2.713 . . . . 0.0 113.477 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.99 173.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.462 0.172 . . . . 0.0 110.631 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 55.6 69.15 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.844 0.715 . . . . 0.0 111.675 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.723 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 96.4 m-85 -94.15 141.15 28.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.362 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -117.24 130.9 56.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.903 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.574 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt0 -59.69 123.02 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.35 -173.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.588 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 12.0 t90 -94.61 -67.26 0.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.645 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.598 HG13 HD11 ' A' ' 74' ' ' ILE . 6.1 pt -144.72 137.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.189 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.22 123.44 46.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -119.62 139.81 51.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 0.0 111.176 -170.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.26 145.9 40.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.687 HD11 ' HB ' ' A' ' 69' ' ' VAL . 97.4 mt -117.75 174.35 6.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.641 0.258 . . . . 0.0 110.474 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.9 143.62 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -77.48 99.42 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.074 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.989 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 11.9 p -128.7 126.09 39.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.015 0.436 . . . . 0.0 111.926 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.98 117.35 26.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.82 8.31 67.94 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.683 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.989 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.5 mm100 -112.78 110.93 21.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.455 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -82.87 106.34 14.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -88.39 96.9 10.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -82.4 107.56 15.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 14.8 mm-40 -92.09 115.57 28.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.457 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.49 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mm-40 -86.57 103.42 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.385 173.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.754 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 75.3 mt -103.02 117.43 48.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.99 92.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.063 0.935 . . . . 0.0 110.311 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -126.64 118.88 25.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.3 p80 -108.1 108.31 19.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -174.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.03 -172.09 32.08 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.852 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.6 m -137.01 137.11 39.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -155.1 158.89 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.687 0.28 . . . . 0.0 110.836 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.0 p -109.71 -31.07 7.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.27 131.01 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.128 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.5 mt -115.31 123.45 48.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.478 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.445 ' HD2' ' CD2' ' A' ' 85' ' ' PHE . 76.4 ttt180 -106.54 102.45 11.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.579 ' HD2' HD13 ' A' ' 72' ' ' LEU . 38.3 m-85 -90.84 110.48 21.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.206 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 58.0 mt -107.52 107.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 69' ' ' VAL . 47.8 mt -90.87 99.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.775 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 50.7 t -67.86 -45.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.203 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.6 t -158.1 175.15 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.03 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.02 174.62 11.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.09 -15.31 58.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 0.0 110.46 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.55 162.14 33.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -70.65 -20.18 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.551 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.5 122.29 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.94 16.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.716 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 t -135.96 126.51 26.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.427 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.56 125.48 59.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.593 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 20.0 t-80 -85.33 -46.47 10.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.412 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.8 m -161.19 134.2 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.964 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.511 HG12 HG23 ' A' ' 64' ' ' ILE . 3.1 m -115.57 90.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.409 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 20.9 m -95.07 153.64 17.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.595 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.11 119.81 37.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 61.3 mt-10 -102.83 149.97 23.96 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.316 0.579 . . . . 0.0 111.084 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 156.73 -137.64 5.54 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -176.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 p -145.35 153.99 41.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.182 0.491 . . . . 0.0 110.684 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.57 118.22 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.562 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.69 -38.3 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.691 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.84 ' HB3' ' HB3' ' A' ' 56' ' ' HIS . 21.3 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.611 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 . . . . . 0 C--O 1.231 0.106 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt 58.71 41.3 22.13 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.831 0.824 . . . . 0.0 110.099 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 tt -95.41 141.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.588 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -65.23 107.19 1.51 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.513 HD12 ' HB ' ' A' ' 57' ' ' VAL . 37.0 mt -90.17 -8.96 49.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.1 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -94.47 -16.44 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.956 0.408 . . . . 0.0 110.985 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.418 HD23 ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -60.86 140.62 57.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.622 -175.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.579 ' HB3' HD11 ' A' ' 31' ' ' ILE . 2.2 p -63.3 -17.39 62.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.147 177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.418 ' OG ' HD23 ' A' ' 8' ' ' LEU . 8.4 m -71.24 -17.38 62.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.33 0.586 . . . . 0.0 109.949 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -97.12 -1.15 45.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 12.75 72.87 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.859 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.8 m -72.16 133.86 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.489 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -111.83 153.0 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.668 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 27' ' ' PRO . 14.9 m -101.87 140.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.059 174.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.93 HG22 ' HB ' ' A' ' 50' ' ' ILE . 3.6 tt -130.93 146.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -175.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt 71.8 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.802 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.42 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.71 0.631 . . . . 0.0 111.814 -173.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HG1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -65.03 -40.75 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.572 -178.232 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 m -92.15 89.35 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -120.5 117.46 27.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.61 151.52 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.423 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.79 -30.69 32.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.941 0.401 . . . . 0.0 110.32 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.13 -22.03 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.077 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -131.44 76.39 75.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.754 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 6.2 Cg_exo -79.72 156.91 24.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.273 2.649 . . . . 0.0 112.341 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.41 ' HB2' HG22 ' A' ' 15' ' ' VAL . 18.7 Cg_exo -67.69 -7.36 19.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.371 2.714 . . . . 0.0 113.78 -175.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -11.57 47.43 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.497 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.61 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -70.23 -16.23 63.02 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.233 173.305 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CG1' ' HB3' ' A' ' 39' ' ' TRP . 47.4 mt -56.75 -56.3 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 9' ' ' SER . 0.7 OUTLIER -84.05 -91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.559 173.36 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 32.5 t70 74.26 -51.18 0.68 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 165.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.28 18.03 10.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.202 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HB2' ' OG1' ' A' ' 37' ' ' THR . 52.5 m-80 -134.6 138.18 29.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 13.2 Cg_exo -71.49 -29.42 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.769 2.313 . . . . 0.0 112.447 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -83.16 -16.87 44.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.649 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 34' ' ' ASN . 8.3 p -91.35 139.09 31.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.237 -0.29 . . . . 0.0 110.235 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -154.0 167.25 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.414 ' HE3' HG13 ' A' ' 128' ' ' VAL . 61.6 t90 -119.2 140.57 49.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -133.51 165.92 23.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -100.07 141.76 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p -87.84 24.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.87 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.88 -0.69 87.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.619 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 ttt -76.88 85.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.61 0.243 . . . . 0.0 110.682 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -106.92 128.74 25.53 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.357 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 92.3 Cg_endo -88.05 154.62 39.52 Favored 'Cis proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.217 -1.576 . . . . 0.0 112.715 -0.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.728 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -127.64 175.4 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.772 176.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' HG2' ' HG1' ' A' ' 19' ' ' THR . 12.2 pt-20 -150.59 144.4 25.25 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.988 0.423 . . . . 0.0 111.018 -175.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.93 ' HB ' HG22 ' A' ' 16' ' ' ILE . 19.2 mt -105.83 129.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -114.06 120.95 65.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.1 p -103.56 133.03 49.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.078 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 98.0 m-85 -70.69 -13.0 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.278 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 69.55 9.43 7.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.018 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 139' ' ' SER . 45.1 pttt -168.28 -176.3 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.324 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 27.2 m170 -91.96 117.67 30.03 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.513 ' HB ' HD12 ' A' ' 6' ' ' LEU . 21.5 m -131.97 168.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.082 0.467 . . . . 0.0 111.639 -176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 55.3 mtt-85 -118.97 125.3 49.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.004 172.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -97.97 127.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -120.83 -34.35 3.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.768 0.318 . . . . 0.0 110.602 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 mtp-105 -146.36 141.59 27.39 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.385 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -110.16 115.8 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.486 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 58.9 t -91.13 100.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.623 HG22 HG13 ' A' ' 131' ' ' VAL . 35.7 mt -115.62 115.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.473 0.654 . . . . 0.0 111.936 -174.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HG3' HD21 ' A' ' 100' ' ' LEU . 47.2 tt0 -96.46 102.79 14.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.44 171.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 p -122.05 153.61 38.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.199 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.518 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 m-85 -135.97 138.13 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.681 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 72.39 -10.75 0.88 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.878 0.736 . . . . 0.0 112.414 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.61 144.08 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -113.82 -63.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 109.662 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -119.38 105.32 11.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' HD1' ' A' ' 116' ' ' PHE . 41.6 tp -108.95 104.63 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -89.78 121.01 31.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.679 HD11 HG13 ' A' ' 89' ' ' ILE . 43.4 mt -100.09 107.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.688 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 14.3 mt-10 -95.72 134.52 38.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -106.96 131.09 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.507 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 75.4 m -131.33 130.04 42.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.834 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -117.21 27.48 9.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.603 0.716 . . . . 0.0 109.669 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -94.76 -178.68 4.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.817 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 24.0 pttm -77.49 -24.93 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.597 0.713 . . . . 0.0 109.892 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.817 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 14.3 mt-10 -119.15 158.16 49.03 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.82 70.43 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.976 1.784 . . . . 0.0 111.272 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.83 159.81 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.555 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.78 85.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.378 0.609 . . . . 0.0 110.195 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.688 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 93.9 m-85 -107.99 110.05 21.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 -176.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.59 142.1 30.2 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -73.08 96.43 2.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 109.33 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.51 -67.04 0.76 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.084 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.679 HG13 HD11 ' A' ' 74' ' ' ILE . 4.4 pt -145.32 115.03 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.922 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 119.22 31.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 172.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -99.77 123.4 43.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.394 0.616 . . . . 0.0 111.635 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -94.8 120.98 35.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.804 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -107.08 145.31 32.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.721 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.69 143.99 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -66.97 103.77 1.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.665 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 40.2 p -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.082 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -104.16 124.37 48.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 177.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.56 -24.37 3.74 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.006 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 58.8 tt0 -96.07 111.17 23.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 110.211 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.0 tt -82.59 109.22 16.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -85.67 94.73 9.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.306 0.574 . . . . 0.0 111.553 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.11 97.37 10.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -92.29 116.06 28.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 111.468 -171.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -80.1 98.39 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.475 173.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 72.1 mt -90.47 97.88 7.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.87 0.367 . . . . 0.0 110.601 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.63 100.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 110.15 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.58 117.49 12.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.391 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -98.99 112.75 24.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -174.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 -174.18 36.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.4 m -136.7 139.72 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.36 155.94 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.7 p -109.99 -33.79 6.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.061 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.465 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 93.0 m-85 -127.3 128.29 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.095 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.4 mt -115.03 125.61 53.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.551 ' CG ' HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -106.45 103.44 12.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.423 ' HD1' HD11 ' A' ' 72' ' ' LEU . 50.3 m-85 -85.98 112.22 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.197 177.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.9 mt -111.42 110.67 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.728 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 50.6 mt -84.24 93.89 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.485 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.5 t -64.52 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.005 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.8 m -156.41 157.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.99 167.03 21.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -86.17 -14.64 43.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.966 0.412 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -120.86 171.27 8.74 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.932 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -11.19 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.796 0.332 . . . . 0.0 111.032 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -136.31 154.16 50.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.693 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.07 139.01 28.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -131.09 147.34 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.239 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.414 HG13 ' HE3' ' A' ' 39' ' ' TRP . 9.8 p -135.2 155.04 36.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -131.13 -63.7 0.84 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.214 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -110.74 105.12 13.87 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.556 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.623 HG13 HG22 ' A' ' 64' ' ' ILE . 3.8 m -119.02 90.76 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.069 171.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.486 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 49.8 m -100.16 146.22 27.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.323 -172.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -114.35 109.12 17.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -94.43 119.88 33.82 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -169.69 -131.43 1.32 Allowed Glycine 0 N--CA 1.437 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.84 177.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.3 p -140.49 171.15 14.53 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.492 HG12 HG12 ' A' ' 57' ' ' VAL . 16.1 m -108.24 126.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.175 0.512 . . . . 0.0 110.917 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.73 -40.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 47.9 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.666 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.356 0.122 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 18.4 pttp -135.3 105.53 6.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.863 0.839 . . . . 0.0 110.614 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 135' ' ' GLY . 9.2 tt -111.09 154.29 12.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.156 175.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.74 105.12 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 109.982 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 35.4 mt -90.66 11.36 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.132 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -93.05 -3.5 54.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.41 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 30.0 mt -87.95 143.58 27.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.335 0.588 . . . . 0.0 111.388 -172.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.556 ' HB3' HG13 ' A' ' 31' ' ' ILE . 52.8 p -73.66 -17.31 61.16 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.298 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -91.49 -11.41 37.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 5.2 tm-20 -76.18 -33.4 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.286 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.62 16.64 3.34 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.369 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 m -110.77 147.35 34.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 0.237 . . . . 0.0 110.447 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -126.3 153.59 44.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 110.676 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.2 139.05 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.889 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.467 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.2 tt -137.78 133.79 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.485 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 tt 67.38 94.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.46 129.65 56.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -54.48 -37.1 64.86 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.558 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 t -152.34 161.82 42.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.593 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 48.1 t -168.36 151.86 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -177.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -118.42 141.41 48.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.39 -8.57 54.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.961 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -31.91 49.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -141.89 89.39 8.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.915 171.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.547 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 58.2 Cg_endo -70.44 158.67 55.38 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.105 2.537 . . . . 0.0 112.928 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HD3' ' OG ' ' A' ' 21' ' ' SER . 41.4 Cg_exo -58.22 -24.8 68.98 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.698 2.932 . . . . 0.0 113.58 -176.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' OE1' ' HB2' ' A' ' 26' ' ' PRO . 1.4 pm0 -61.44 -14.61 29.81 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.318 -0.239 . . . . 0.0 111.55 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 27.8 t-20 -68.89 -22.87 64.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.491 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 tt -67.21 -26.2 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.414 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.556 HG13 ' HB3' ' A' ' 9' ' ' SER . 14.9 pt -107.63 -16.89 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.415 0.626 . . . . 0.0 110.451 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.4 t70 -65.7 -50.74 63.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.346 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.32 5.73 32.08 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.588 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -83.8 117.25 68.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.551 0.675 . . . . 0.0 110.028 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -83.47 19.43 1.34 Allowed 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.544 2.829 . . . . 0.0 113.716 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.71 -60.22 2.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.529 0.68 . . . . 0.0 110.86 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 m -151.49 164.05 37.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.336 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.846 ' HB3' ' HB2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -94.02 171.93 8.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -85.29 125.59 33.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -132.07 143.88 50.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.158 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 158.81 19.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.253 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.8 p -82.66 21.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.47 48.7 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.606 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.869 ' HE1' ' HA ' ' A' ' 44' ' ' MET . 7.8 mmt -80.8 88.94 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -107.16 146.75 33.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.784 174.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 166.93 81.47 Favored 'Cis proline' 0 N--CA 1.462 -0.367 0 C-N-CA 123.09 -1.629 . . . . 0.0 112.095 -0.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.78 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 51.2 mt-30 -107.22 148.96 28.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 10.2 pt-20 -158.35 122.24 4.02 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.747 168.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -128.69 141.21 51.41 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.435 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.0 mt -109.69 122.76 64.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -174.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -107.74 120.04 58.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.3 p -106.74 127.33 53.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.48 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 96.0 m-85 -70.57 -13.52 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.745 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 66.22 13.77 9.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.347 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 22.7 pttm -169.14 167.09 10.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -87.36 107.07 18.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 0.0 110.331 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.74 168.68 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 111.11 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.4 ttm180 -117.56 128.41 54.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.481 173.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.06 133.14 46.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.291 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.568 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 35.5 tt0 -105.5 -40.73 5.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.966 0.412 . . . . 0.0 110.002 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.568 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 65.6 mtt-85 -141.47 146.91 37.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.203 0.525 . . . . 0.0 111.623 -175.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 60.4 mt -115.25 105.66 13.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.141 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 54.6 t -91.19 95.71 5.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.823 HG22 HG11 ' A' ' 131' ' ' VAL . 28.7 mt -107.67 116.05 50.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -172.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 101' ' ' GLN . 47.2 mt-30 -109.69 110.36 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.848 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -136.16 167.82 20.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.299 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -136.13 144.38 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.718 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 75.17 -23.38 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.836 0.854 . . . . 0.0 112.984 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.523 HG12 HG22 ' A' ' 118' ' ' ILE . 55.0 t -54.99 136.03 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -114.97 -50.77 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 m -120.16 113.87 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.776 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.46 107.74 12.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 58.0 tttm -101.49 109.06 20.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.729 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -95.59 111.79 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.25 151.85 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 178.214 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 88' ' ' TRP . 16.1 ptpt -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.7 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.427 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 9.5 t -143.17 143.95 31.99 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 170.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.6 p -113.29 7.82 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.985 0.421 . . . . 0.0 111.427 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -91.85 178.96 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.632 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -103.65 9.55 37.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.903 0.859 . . . . 0.0 109.207 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 26.0 mt-10 -119.24 139.86 28.15 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.567 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 7.6 Cg_exo -74.62 45.97 1.37 Allowed 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.142 2.561 . . . . 0.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.85 143.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.833 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 63.78 97.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.907 174.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.57 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 70.4 m-85 -113.0 145.31 41.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.798 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -102.41 144.52 30.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.638 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.519 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 22.9 pt20 -67.84 131.69 46.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 10.3 t90 -118.92 -72.75 0.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.416 HD11 ' HB3' ' A' ' 107' ' ' ALA . 63.7 mt -128.97 100.56 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.886 0.374 . . . . 0.0 111.336 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.73 101.06 12.72 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -115.04 140.56 48.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.7 134.77 46.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.544 173.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.01 172.44 7.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.43 143.6 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.17 104.11 2.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.449 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.545 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.2 p -112.45 121.97 46.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.413 175.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.3 141.11 36.49 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.95 -40.42 2.66 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.051 -173.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.545 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.6 mt-30 -92.84 110.84 22.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.48 120.59 15.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.8 tm0? -69.55 97.68 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -119.99 102.81 8.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.332 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 47.2 mm-40 -92.32 120.95 33.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -99.58 89.51 4.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 57.3 mt -94.95 110.08 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.938 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.39 88.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.069 0.938 . . . . 0.0 109.598 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.425 ' HB2' HG22 ' A' ' 105' ' ' ILE . . . -123.56 114.11 19.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.72 -172.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -99.08 122.33 42.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.522 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 168.82 40.63 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.46 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m -131.31 114.08 14.58 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.09 161.49 38.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.891 0.377 . . . . 0.0 111.054 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.7 p -108.15 -33.22 7.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.259 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.426 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 40.4 m-85 -125.24 131.5 53.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.381 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 mt -114.91 127.19 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.726 0.298 . . . . 0.0 110.214 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -107.43 103.66 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 76.5 m-85 -90.03 103.52 16.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 46.3 mt -98.23 98.26 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.78 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 48.1 mt -85.27 90.63 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.37 -64.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.6 m -137.31 159.06 43.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.354 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.5 174.09 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.309 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -83.08 -5.8 59.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.53 175.23 9.78 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -88.59 -7.81 55.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.097 0.475 . . . . 0.0 110.07 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -127.97 122.36 32.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.788 175.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.86 150.44 28.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.5 p -142.64 133.81 26.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.881 0.372 . . . . 0.0 111.759 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.64 147.01 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 58.7 t-80 -130.18 -50.48 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.079 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 m -115.32 105.32 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.111 0.481 . . . . 0.0 111.264 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.823 HG11 HG22 ' A' ' 64' ' ' ILE . 3.8 m -116.81 90.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.544 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 40.0 m -90.69 129.01 36.83 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.662 -170.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.35 104.79 14.58 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 18.1 mt-10 -94.43 124.25 38.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.764 0.792 . . . . 0.0 110.345 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.444 ' O ' HG23 ' A' ' 4' ' ' ILE . . . 176.12 -148.8 9.44 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.627 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.66 155.37 40.95 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.556 0.678 . . . . 0.0 111.535 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.5 m -71.81 138.27 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.251 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.82 -48.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.354 -178.484 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -147.91 113.32 5.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 111.098 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.517 HG22 ' HG ' ' A' ' 6' ' ' LEU . 14.3 tt -124.54 154.54 32.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.89 174.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.12 86.23 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.503 0.668 . . . . 0.0 111.139 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB2' ' HB1' ' A' ' 133' ' ' ALA . 48.0 mt -79.98 10.92 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.432 -175.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 131' ' ' VAL . 46.0 t -94.58 -9.7 34.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.534 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.46 139.93 39.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 111.694 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.631 ' HB3' HD13 ' A' ' 31' ' ' ILE . 9.4 p -65.88 -18.78 65.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.159 174.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -71.78 -21.85 61.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.697 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.67 -19.48 27.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.878 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.38 7.65 13.85 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.345 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 m -76.29 123.41 25.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.05 0.453 . . . . 0.0 110.648 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -125.32 120.33 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.247 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -85.09 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.187 0.518 . . . . 0.0 111.191 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.543 ' CG1' ' HB ' ' A' ' 50' ' ' ILE . 3.9 pt -124.31 166.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.28 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.506 ' HB2' HG13 ' A' ' 16' ' ' ILE . 2.9 tp 69.02 14.6 8.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.95 0.5 . . . . 0.0 112.157 168.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.37 115.72 3.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.023 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -52.35 -51.13 60.52 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.48 0.487 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -111.87 139.1 47.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.716 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -137.01 105.69 5.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -97.83 142.14 29.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.324 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -70.3 -29.63 66.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.51 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.38 -8.25 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.608 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -143.54 76.96 15.64 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.493 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.42 128.97 13.28 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.522 2.148 . . . . 0.0 112.858 -174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.88 -23.43 75.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.983 2.456 . . . . 0.0 112.059 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.61 -10.59 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 HD21 ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.03 -12.46 50.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.096 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.76 -39.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.165 0.507 . . . . 0.0 109.833 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.631 HD13 ' HB3' ' A' ' 9' ' ' SER . 11.9 pt -83.27 8.07 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' HD21 ' A' ' 29' ' ' ASN . 18.5 t70 -102.42 -37.27 8.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.571 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 49.2 8.98 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.556 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -97.44 120.21 61.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.494 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.1 -5.27 10.6 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.176 2.584 . . . . 0.0 113.099 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -95.91 -44.13 7.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 0.0 111.443 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -102.5 149.66 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.499 -172.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 129' ' ' HIS . 46.7 p90 -145.54 165.58 28.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.285 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.557 ' HE3' HG13 ' A' ' 128' ' ' VAL . 57.7 t90 -105.62 144.14 32.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.002 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 164.12 30.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -116.82 160.21 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -87.07 26.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.139 0.495 . . . . 0.0 111.229 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.99 29.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.162 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.463 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 64.4 mtt -91.81 95.28 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.711 0.291 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -107.04 129.86 23.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.397 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.888 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 3.2 Cg_exo -81.45 164.01 77.29 Favored 'Cis proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.599 -1.417 . . . . 0.0 111.695 -2.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.4 pt20 -127.42 138.85 53.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.152 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.09 144.98 48.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.979 0.418 . . . . 0.0 110.789 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -145.09 144.93 31.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.19 172.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.543 ' HB ' ' CG1' ' A' ' 16' ' ' ILE . 72.5 mt -109.22 114.97 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.834 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -92.35 107.44 18.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.7 m -86.93 116.49 25.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.603 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 95.4 m-85 -77.91 -25.65 48.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 65.24 11.22 7.06 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.087 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HG3' HG12 ' A' ' 57' ' ' VAL . 52.6 pttt -156.28 163.85 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.42 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -89.35 109.07 20.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' ' 137' ' ' VAL . 24.3 m -123.31 156.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 112.043 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 7.6 ttp85 -107.98 111.8 24.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.713 175.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 80.7 mt -92.78 133.04 35.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.37 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.7 -1.59 8.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.977 0.418 . . . . 0.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -166.44 137.91 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 89' ' ' ILE . 96.9 mt -119.96 125.94 49.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.55 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.674 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 90.4 t -101.54 111.87 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.453 HG12 HD12 ' A' ' 105' ' ' ILE . 17.9 mm -106.72 104.02 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.092 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -103.99 102.35 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB3' HG22 ' A' ' 128' ' ' VAL . 12.6 p -151.29 -179.87 7.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -174.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.843 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 19.7 m-85 -121.01 142.59 49.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.356 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 65.0 -96.78 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.754 0.659 . . . . 0.0 111.91 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.832 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.4 t 58.2 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.179 0.592 . . . . 0.0 110.659 -176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.832 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -172.7 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.1 m -105.56 99.79 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.036 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD11 ' HD2' ' A' ' 116' ' ' PHE . 28.4 tp -103.67 101.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.492 0.663 . . . . 0.0 110.366 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HE3' HD11 ' A' ' 117' ' ' ILE . 52.9 tttp -90.64 106.94 18.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.572 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.597 HD11 HG13 ' A' ' 89' ' ' ILE . 36.7 mt -96.18 108.7 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.744 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 23.7 tt0 -111.62 136.63 50.57 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.53 155.48 22.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.229 0.538 . . . . 0.0 111.594 -172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 11.5 t -142.87 132.64 23.98 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 165.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -113.17 12.73 19.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 0.0 110.4 -177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -89.58 -164.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.697 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.459 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 2.7 ptmm? -107.15 -6.4 17.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.123 0.487 . . . . 0.0 110.938 178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 25.3 mp0 -97.81 146.29 31.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.62 32.65 0.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.645 2.23 . . . . 0.0 112.165 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.73 166.9 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.823 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.1 t70 63.17 105.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.053 0.845 . . . . 0.0 110.84 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.744 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 98.1 m-85 -126.31 156.46 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 112.328 -169.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -115.54 136.37 53.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.929 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -75.08 116.68 16.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.952 0.406 . . . . 0.0 110.491 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -90.93 -78.6 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.352 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.597 HG13 HD11 ' A' ' 74' ' ' ILE . 7.0 pt -141.24 109.96 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 111.368 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.24 105.34 17.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -112.88 144.66 42.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.98 0.419 . . . . 0.0 111.29 -170.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.2 p-10 -98.95 149.02 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.799 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.481 HD12 ' HB ' ' A' ' 69' ' ' VAL . 82.8 mt -121.77 173.48 7.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.371 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.62 146.95 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -62.84 105.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -91.28 119.33 31.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.09 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -103.79 118.0 35.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.073 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.24 38.97 91.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.595 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.69 132.82 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.703 0.287 . . . . 0.0 111.236 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.843 ' HG ' ' HE1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -97.64 97.22 8.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.606 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -106.38 136.06 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.132 0.491 . . . . 0.0 111.091 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 102' ' ' ASN . 0.7 OUTLIER -97.03 115.61 27.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.04 175.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.07 130.02 37.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -107.76 99.78 9.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.195 -175.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 89' ' ' ILE . 3.1 mp -99.17 119.56 47.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.432 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.49 97.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.729 0.776 . . . . 0.0 109.634 173.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.9 112.33 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.471 -173.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 52.6 m-70 -102.23 112.08 24.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 157.69 30.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.875 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 p -104.38 136.68 43.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.93 161.52 41.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.048 0.452 . . . . 0.0 111.526 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 p -122.09 -33.93 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.492 174.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.415 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 88.7 m-85 -125.29 126.62 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.549 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.463 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 30.4 mt -114.79 121.25 42.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.588 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 17.5 ttp180 -106.38 100.54 10.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.12 0.486 . . . . 0.0 110.004 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.537 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.7 m-85 -82.61 116.34 21.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.904 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.588 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 55.6 mt -114.4 107.32 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.8 mt -88.29 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.888 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -62.52 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.019 -173.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 69.2 m -155.6 165.89 35.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.848 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -132.07 168.89 17.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.89 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -70.2 -8.65 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.469 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -135.48 -172.18 3.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -95.83 -6.4 39.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.473 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.43 133.74 48.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.407 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -136.13 118.35 15.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 67' ' ' TYR . 15.0 m -142.08 122.69 14.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.557 HG13 ' HE3' ' A' ' 39' ' ' TRP . 8.2 p -100.53 130.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 6.5 t60 -79.54 -59.19 2.85 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 m -160.27 159.61 31.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.952 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.439 HG23 ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -128.0 170.95 16.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.674 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.8 m -149.72 128.8 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -106.05 107.67 18.78 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.41 123.7 40.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.253 0.549 . . . . 0.0 110.672 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 175.44 -144.41 7.21 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -137.97 154.83 49.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 0.0 111.32 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.49 ' HA ' HG13 ' A' ' 57' ' ' VAL . 59.4 t -83.43 112.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.942 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.68 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.036 0.445 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.575 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.588 ' HE ' ' HG2' ' A' ' 60' ' ' GLU . 31.5 ptt-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.44 0.638 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -130.04 93.55 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.056 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 6.5 tt -134.52 128.05 50.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -63.48 106.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.514 0.673 . . . . 0.0 110.268 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.718 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 25.9 mt -84.88 -2.44 57.81 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.379 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.03 -14.37 25.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 0.0 111.376 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.48 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 65.5 mt -64.08 131.43 47.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.177 0.513 . . . . 0.0 112.095 -176.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.718 ' HB3' HD13 ' A' ' 31' ' ' ILE . 18.6 p -64.81 -20.05 66.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.438 170.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 m -72.5 -23.61 61.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 50.1 mm-40 -95.35 9.74 38.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.26 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.79 9.73 59.54 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.647 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' SER . 19.2 m -86.44 149.5 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.382 0.591 . . . . 0.0 110.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -132.99 151.04 52.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.32 110.72 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.847 0.832 . . . . 0.0 111.192 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.633 HG21 ' HB ' ' A' ' 50' ' ' ILE . 7.2 tt -113.02 154.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.417 -175.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER 74.5 20.22 2.53 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.901 0.48 . . . . 0.0 112.149 171.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.74 117.71 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.274 -0.266 . . . . 0.0 110.938 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -65.03 -61.23 2.28 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -103.94 102.42 12.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.033 0.444 . . . . 0.0 110.987 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -91.58 119.95 31.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 11.3 t70 -96.77 147.38 23.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.72 -20.51 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.063 0.459 . . . . 0.0 111.454 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -89.97 -30.14 18.0 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -129.5 81.69 69.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.989 170.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 29.1 Cg_endo -62.48 155.24 59.2 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.066 2.511 . . . . 0.0 113.168 -173.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 30' ' ' ILE . 35.6 Cg_exo -58.33 -20.99 50.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.018 2.479 . . . . 0.0 112.233 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.47 -14.9 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.19 -12.5 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.464 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 27' ' ' PRO . 11.3 tt -78.26 -27.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.551 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 9' ' ' SER . 4.9 pt -94.09 13.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 122.006 0.908 . . . . 0.0 109.596 174.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.442 ' CG ' HD21 ' A' ' 34' ' ' ASN . 21.6 t70 -109.6 -64.91 1.2 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.647 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.16 21.64 77.72 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 114.277 171.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.442 HD21 ' CG ' ' A' ' 32' ' ' ASP . 43.7 m-80 -84.85 147.56 48.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 117.733 0.767 . . . . 0.0 110.189 176.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.77 16.19 0.28 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.321 2.68 . . . . 0.0 114.135 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -96.9 -41.07 8.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 t -151.52 141.0 21.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 42.2 p90 -145.84 170.0 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.059 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -87.54 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.029 0.442 . . . . 0.0 110.997 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -122.59 139.67 53.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.501 HG21 ' H ' ' A' ' 43' ' ' GLY . 7.3 m -76.55 139.28 40.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.115 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -77.76 -9.8 59.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 111.626 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' H ' HG21 ' A' ' 41' ' ' THR . . . 115.16 -3.24 22.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.405 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -78.84 97.57 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.082 0.468 . . . . 0.0 110.728 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.06 147.93 36.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.587 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.81 155.53 97.67 Favored 'Cis proline' 0 C--O 1.235 0.371 0 C-N-CA 122.995 -1.669 . . . . 0.0 112.09 -1.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.482 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 19.9 pt20 -106.97 144.06 34.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.138 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 115' ' ' ARG . 10.2 pt-20 -143.9 131.11 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.268 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 116' ' ' PHE . 37.7 p90 -145.17 143.65 30.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.633 ' HB ' HG21 ' A' ' 16' ' ' ILE . 55.6 mt -109.84 112.45 40.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.802 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.65 112.97 27.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.74 131.33 44.37 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.078 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 99.6 m-85 -72.42 -24.28 61.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.021 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 67.82 15.78 9.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.361 0.601 . . . . 0.0 110.275 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 18.8 pttm -162.57 155.86 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.599 -176.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -82.72 105.8 14.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG12 HG23 ' A' ' 137' ' ' VAL . 33.8 m -119.12 169.35 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.048 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.2 ttt180 -129.09 117.02 20.15 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.729 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.0 mt -90.02 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.506 -175.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.588 ' HG2' ' HE ' ' A' ' 2' ' ' ARG . 14.5 tp10 -115.76 -26.89 7.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.332 0.587 . . . . 0.0 110.261 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -165.8 139.1 4.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.742 -174.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.709 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.2 mp -110.19 140.14 44.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.713 0.292 . . . . 0.0 110.419 177.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.93 95.48 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.5 mm -100.81 111.19 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.794 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.509 ' NE2' ' HG ' ' A' ' 130' ' ' SER . 44.0 mt-30 -117.44 107.95 14.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.138 176.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.1 m -147.81 167.31 25.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.99 143.05 45.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.807 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 70.65 2.64 4.2 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 170.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.4 125.94 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.792 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.756 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 34.2 tt0 -111.39 -76.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.0 m -85.2 101.36 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.165 0.507 . . . . 0.0 110.344 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.729 HD12 ' HD1' ' A' ' 116' ' ' PHE . 17.8 tp -112.33 110.13 20.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.39 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.629 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 40.6 tttp -97.31 108.36 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.104 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.09 106.78 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.051 0.453 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 28.3 tt0 -95.89 135.7 37.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.156 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 10.4 ttmt -111.51 135.74 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.011 0.434 . . . . 0.0 112.019 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 51.0 m -136.88 127.57 27.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.191 170.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.34 16.45 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.386 0.612 . . . . 0.0 110.519 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -86.09 157.2 20.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.95 -4.2 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.373 0.606 . . . . 0.0 109.854 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HB2' HG23 ' A' ' 83' ' ' VAL . 31.4 mt-10 -117.44 154.56 50.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.485 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -75.07 43.05 0.92 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.758 2.306 . . . . 0.0 112.657 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 81' ' ' GLU . 30.9 m -129.02 169.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.24 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 63.45 106.76 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.061 0.851 . . . . 0.0 111.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 55.8 m-85 -115.8 127.32 54.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -127.67 128.62 45.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.35 110.07 5.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 14.5 t90 -84.43 -67.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.333 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.2 mt -134.84 143.1 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -139.02 115.24 10.34 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -120.58 161.57 21.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.518 . . . . 0.0 112.056 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.756 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 3.7 p30 -133.02 133.6 43.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.472 171.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.94 166.06 11.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.43 154.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.646 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -58.22 113.94 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 17.4 p -129.1 114.57 16.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.804 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -100.95 113.45 26.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.725 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 -18.52 34.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.8 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 77.4 mt-30 -92.47 112.12 23.95 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.47 101.85 4.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -88.36 89.45 7.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.52 109.08 3.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.91 104.21 16.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.723 0.773 . . . . 0.0 110.069 -171.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.1 pt-20 -90.06 102.55 15.26 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.299 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 38.8 mm -79.71 98.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.374 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 m -75.05 90.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.785 0.802 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.183 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.729 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.2 p80 -103.6 111.05 23.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.411 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.43 34.13 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.531 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -108.8 131.66 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.669 0.235 . . . . 0.0 110.379 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -157.15 154.19 28.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.702 0.287 . . . . 0.0 110.712 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 p -115.39 -34.98 4.76 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.223 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.665 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 39.1 m-85 -122.32 131.3 53.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.94 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 76' ' ' LYS . 69.1 mt -127.43 126.3 42.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.543 0.211 . . . . 0.0 110.442 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 50' ' ' ILE . 4.6 ttm-85 -106.3 110.65 22.95 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.729 ' HD1' HD12 ' A' ' 72' ' ' LEU . 67.9 m-85 -85.1 109.95 18.62 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 36.0 mt -106.03 102.43 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.965 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.482 ' HB ' ' CG ' ' A' ' 47' ' ' GLN . 52.1 mt -88.76 99.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.1 -46.71 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.984 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -127.09 127.35 44.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.746 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.36 159.83 30.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -70.88 -30.37 66.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.534 . . . . 0.0 110.483 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.87 -172.27 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.499 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.7 m-70 -101.18 -4.58 26.96 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -122.91 122.31 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.816 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.7 137.89 41.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.928 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.423 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . 18.7 m -127.92 111.81 14.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -94.82 109.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.249 0.547 . . . . 0.0 110.073 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -73.05 -54.19 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.509 ' HG ' ' NE2' ' A' ' 65' ' ' GLN . 3.0 p -164.34 125.96 2.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.945 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.31 118.27 54.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.963 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 44.4 m -121.31 145.25 48.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.51 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -110.67 120.23 41.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.11 143.21 26.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.257 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 149.08 -154.46 25.81 Favored Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -143.28 163.68 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 117.206 0.503 . . . . 0.0 111.311 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.502 HG23 HG12 ' A' ' 57' ' ' VAL . 31.5 t -89.38 114.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.072 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.81 -44.7 98.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.13 179.121 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 68.17 61.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.663 0.602 . . . . 0.0 111.769 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.6 tt -95.39 133.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.27 91.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.084 0.468 . . . . 0.0 110.702 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.622 HD23 HG13 ' A' ' 57' ' ' VAL . 20.5 mt -82.91 8.1 13.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.072 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 24.7 p -94.24 -30.96 14.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.631 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.14 139.32 58.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -166.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -62.35 -21.66 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.278 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -70.7 -20.1 62.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.17 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -92.18 2.11 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.05 13.72 61.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.954 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.7 p -72.31 162.23 29.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.907 0.384 . . . . 0.0 110.324 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 10.1 tp10 -142.91 140.62 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.157 178.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.84 102.07 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.008 0.908 . . . . 0.0 109.935 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.548 HG21 ' HB ' ' A' ' 50' ' ' ILE . 4.3 tt -105.08 131.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.288 -176.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 6.3 tt 71.0 118.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.68 0.613 . . . . 0.0 111.029 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' GLU . . . -151.57 135.44 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.915 176.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -63.36 -28.95 70.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.542 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -120.99 139.61 53.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.817 0.341 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -156.83 151.48 25.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -145.44 157.22 44.05 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -86.81 -24.96 24.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.997 0.427 . . . . 0.0 111.104 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -92.5 -30.54 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.87 85.32 60.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.243 174.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.96 149.55 22.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.127 2.551 . . . . 0.0 112.991 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.695 ' HB3' ' CD1' ' A' ' 39' ' ' TRP . 56.9 Cg_endo -74.36 -5.49 17.0 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.88 2.387 . . . . 0.0 112.798 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.23 -12.75 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.227 0.537 . . . . 0.0 111.224 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.05 -3.22 51.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.316 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.4 tt -66.15 -35.35 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 111.309 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 10.7 pt -80.69 -26.91 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.644 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.9 -18.05 41.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.34 53.34 5.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.163 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.9 OUTLIER -83.86 130.72 54.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 -179.244 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.58 -42.52 4.92 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.709 2.273 . . . . 0.0 112.422 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.3 -60.55 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m -94.95 115.37 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.109 0.48 . . . . 0.0 110.877 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -133.86 174.74 10.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.241 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.695 ' CD1' ' HB3' ' A' ' 27' ' ' PRO . 33.9 t90 -93.28 121.76 34.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 110.862 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -124.0 170.33 10.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.04 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.785 ' HB ' ' HB2' ' A' ' 125' ' ' PHE . 3.3 m -104.87 147.44 27.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.837 0.351 . . . . 0.0 111.381 -173.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -83.83 -21.62 32.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.597 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' THR . . . 114.09 47.17 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.727 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.32 116.2 13.17 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.65 145.67 31.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -80.81 146.9 73.2 Favored 'Cis proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.298 -0.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.729 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 16.7 pt20 -107.09 114.06 27.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.259 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 9.4 pt-20 -124.38 158.78 31.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.004 -177.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 45.8 p90 -155.09 144.77 21.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.577 173.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.782 HG12 ' HG3' ' A' ' 115' ' ' ARG . 57.0 mt -108.9 124.33 65.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.884 0.373 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.02 120.32 54.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 14' ' ' GLU . 16.1 p -110.46 132.91 53.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.927 0.394 . . . . 0.0 110.72 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.482 ' C ' ' H ' ' A' ' 55' ' ' LYS . 74.3 m-85 -82.02 -23.63 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.712 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 70.2 m-70 71.0 -17.73 0.29 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.586 0.754 . . . . 0.0 111.467 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 53' ' ' PHE . 42.7 pttt -125.95 161.31 27.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.33 107.77 16.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.622 HG13 HD23 ' A' ' 6' ' ' LEU . 16.3 m -121.49 160.92 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.981 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -125.52 122.14 35.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -89.64 141.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' OE2' ' HD2' ' A' ' 108' ' ' HIS . 1.5 tp10 -93.78 -50.28 5.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.547 HH11 ' HG3' ' A' ' 61' ' ' ARG . 26.4 ptt85 -161.09 154.4 21.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.913 173.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.7 134.93 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.509 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.536 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 85.6 t -96.06 112.73 28.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.73 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -101.64 102.17 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -152.92 147.03 25.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.4 t80 -128.89 159.32 36.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 73.9 m-85 72.92 -10.79 0.94 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.56 0.744 . . . . 0.0 111.714 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 45.8 t -70.81 137.54 23.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 24.6 tt0 -113.25 -74.02 0.64 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -95.87 103.64 15.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.756 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 116' ' ' PHE . 22.3 tp -111.76 114.49 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.269 0.557 . . . . 0.0 110.905 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 20.7 ttmm -103.63 120.45 40.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.647 ' HB ' ' HB ' ' A' ' 89' ' ' ILE . 62.5 mt -99.55 107.65 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -99.66 129.11 45.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.82 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HA ' HD22 ' A' ' 114' ' ' LEU . 28.7 ttpp -107.58 139.58 41.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.965 0.412 . . . . 0.0 111.268 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 34.4 t -139.18 140.73 37.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.766 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 p -112.54 17.47 19.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.235 0.541 . . . . 0.0 110.235 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -85.31 156.64 20.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.558 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -82.27 -19.57 39.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.82 0.819 . . . . 0.0 108.87 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB2' HG23 ' A' ' 83' ' ' VAL . 5.7 mm-40 -105.92 157.27 35.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.971 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.59 51.21 1.46 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.967 2.445 . . . . 0.0 112.685 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 81' ' ' GLU . 29.4 m -138.36 173.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.773 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.4 t70 58.0 88.79 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 0.0 110.925 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.63 144.95 41.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.283 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.0 128.63 32.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.645 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -71.79 106.77 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.344 0.593 . . . . 0.0 110.485 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -92.26 -52.32 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.717 -174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.647 ' HB ' ' HB ' ' A' ' 74' ' ' ILE . 61.9 mt -135.57 146.41 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -138.96 121.45 16.15 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -136.07 135.42 39.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.739 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.6 p-10 -104.54 129.67 52.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.68 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 20.2 tp -73.93 142.14 45.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.618 ' HB ' HE22 ' A' ' 101' ' ' GLN . 60.2 t -96.53 124.45 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -74.91 91.67 2.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.104 0.478 . . . . 0.0 110.786 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.9 p -81.31 114.58 20.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 168.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.26 121.51 20.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.335 -172.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.22 -0.29 87.24 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.441 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -129.2 129.41 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.16 116.62 20.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 171.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.618 HE22 ' HB ' ' A' ' 94' ' ' VAL . 34.8 tt0 -83.14 97.11 8.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.287 0.565 . . . . 0.0 111.221 -175.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.98 115.93 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.991 172.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.17 121.52 43.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.762 0.315 . . . . 0.0 111.018 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 7.4 pt-20 -96.62 103.6 15.52 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.882 0.849 . . . . 0.0 109.332 171.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.37 100.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.131 -176.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -75.7 106.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.596 0.713 . . . . 0.0 109.945 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 89' ' ' ILE . . . -147.62 117.93 7.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.467 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.475 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 70.2 m80 -99.29 107.39 19.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.95 164.11 37.6 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.987 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 20.2 m -108.14 143.62 36.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . . . -158.71 160.17 36.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.9 p -119.57 -34.68 3.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.678 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 42.2 m-85 -124.6 127.59 47.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.031 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 76' ' ' LYS . 66.9 mt -121.42 124.5 44.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.782 ' HG3' HG12 ' A' ' 50' ' ' ILE . 3.5 ttm-85 -106.51 119.63 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 71.8 m-85 -94.29 102.01 13.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.745 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.483 HG13 ' HD2' ' A' ' 115' ' ' ARG . 4.4 mp -97.38 103.39 14.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.844 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.729 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 50.1 mt -85.84 96.13 4.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.8 -40.72 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.896 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 t -146.74 157.58 43.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 -177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.91 171.66 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -80.9 -16.34 53.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' A' ' 124' ' ' HIS . 5.9 t70 -134.92 -172.09 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.788 -178.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.401 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 86.1 m-70 -74.39 -14.83 60.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.785 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 49.4 p90 -150.6 158.84 44.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.85 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.417 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -114.5 157.96 22.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -135.06 120.06 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.045 0.45 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.34 136.62 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.74 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -98.27 -60.35 1.57 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -148.73 133.63 18.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.278 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.73 142.75 41.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.746 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 26.6 p -143.44 136.4 27.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 110.884 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . . . -105.63 102.71 12.15 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -98.03 104.02 16.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.479 0.657 . . . . 0.0 110.635 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -130.63 1.6 Allowed Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.326 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 p -144.55 154.98 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 132.04 39.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.961 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.24 -57.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.14 177.218 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.61 ' HA ' HG23 ' A' ' 136' ' ' THR . 12.1 ptm180 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.106 0.479 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -129.07 91.93 3.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.198 0.523 . . . . 0.0 109.863 171.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 10.5 tt -120.25 121.09 64.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 168.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.44 94.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.138 0.97 . . . . 0.0 110.504 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 14.6 mt -79.12 11.22 2.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.831 -168.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.69 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 39.7 t -94.58 -12.11 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.185 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 61.1 mt -74.07 140.48 45.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 0.0 111.66 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.583 ' HB2' HG13 ' A' ' 31' ' ' ILE . 18.8 t -68.42 -19.42 64.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.523 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -90.52 -9.23 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.545 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 7.1 tm-20 -89.57 -24.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.187 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.18 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.973 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.0 m -98.68 150.71 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.665 0.269 . . . . 0.0 110.441 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 54' ' ' HIS . 9.6 tp10 -131.53 150.48 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.331 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 p -97.46 136.24 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.191 0.52 . . . . 0.0 110.093 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 50' ' ' ILE . 5.3 tt -135.82 134.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.337 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.4 tt 69.45 99.7 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.681 0.613 . . . . 0.0 111.005 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.45 119.16 25.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.3 m -56.96 -56.87 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.046 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -98.03 144.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.527 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -158.12 131.26 7.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.995 0.426 . . . . 0.0 110.791 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.821 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 12.2 t70 -101.58 155.16 18.26 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 172.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -78.78 -23.28 45.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.783 0.325 . . . . 0.0 110.894 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -107.08 -2.4 21.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 0.0 110.078 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 32.0 m170 -128.0 76.89 77.25 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.033 172.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 55.5 Cg_endo -88.35 137.58 3.68 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.716 2.278 . . . . 0.0 112.572 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.513 ' O ' HG21 ' A' ' 30' ' ' ILE . 16.8 Cg_exo -68.08 -17.58 45.74 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 C-N-CA 123.393 2.728 . . . . 0.0 113.711 -172.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -66.15 -14.48 61.91 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.176 -0.328 . . . . 0.0 111.716 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.12 -2.65 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG23 HG22 ' A' ' 31' ' ' ILE . 8.1 tt -62.49 -35.64 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 111.544 -174.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 25.2 pt -87.93 -18.46 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.298 -172.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -89.77 -15.41 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 0.0 110.545 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 52.86 7.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.144 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -103.33 112.75 65.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.46 -16.84 52.43 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.34 2.693 . . . . 0.0 112.979 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.92 -48.85 80.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.456 . . . . 0.0 110.509 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -116.39 115.48 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.0 142.77 34.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -96.19 113.65 25.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -126.09 138.8 53.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.78 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 43' ' ' GLY . 55.9 m -85.25 132.53 34.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.254 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -77.85 8.67 4.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.275 -175.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' H ' HG23 ' A' ' 41' ' ' THR . . . 102.3 25.47 7.82 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.258 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.61 101.79 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 83.0 m-85 -106.85 138.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.265 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.7 163.74 57.59 Favored 'Cis proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.364 -1.515 . . . . 0.0 112.608 0.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HG2' HG21 ' A' ' 41' ' ' THR . 27.8 mt-30 -107.12 111.73 24.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.359 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.52 125.35 46.6 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.265 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.593 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 30.4 p90 -139.28 140.17 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.883 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.531 ' HB ' HG22 ' A' ' 16' ' ' ILE . 69.8 mt -111.52 135.77 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.44 117.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.85 127.65 51.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 96.4 m-85 -81.15 -20.73 40.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.309 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 23.5 m-70 68.68 6.64 5.61 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 139' ' ' SER . 40.1 pttt -154.27 179.7 8.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.14 -171.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 42.6 m-70 -101.49 110.94 23.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG11 ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -123.8 148.82 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 111.676 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.897 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.5 mt -89.6 123.42 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.12 -14.77 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.16 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -170.08 156.06 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -133.28 136.8 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.665 0.269 . . . . 0.0 110.696 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 46.5 t -103.45 109.0 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.864 175.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 19.3 mm -113.11 103.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -117.32 102.19 9.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 m -140.75 167.24 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -95.3 123.73 38.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.85 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.063 0.852 . . . . 0.0 112.232 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.916 HG13 ' H ' ' A' ' 70' ' ' GLN . 2.9 t 56.33 -160.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.916 ' H ' HG13 ' A' ' 69' ' ' VAL . 35.2 tt0 -174.22 -77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -108.35 103.42 12.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.854 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 ' HD2' ' A' ' 116' ' ' PHE . 27.1 tp -103.41 102.21 12.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.231 0.538 . . . . 0.0 110.246 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HZ1' ' HG2' ' A' ' 87' ' ' GLN . 51.9 tttp -96.92 109.9 22.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.669 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -104.65 117.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.925 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -95.56 142.02 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 176.017 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 78.6 tttt -106.71 134.45 49.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.048 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.484 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 31.3 t -142.1 143.34 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.854 0.359 . . . . 0.0 110.191 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m -128.72 23.44 5.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.592 0.711 . . . . 0.0 109.46 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -77.33 178.07 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.885 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -79.65 -31.1 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 109.724 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.652 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 31.3 mt-10 -119.27 168.94 8.94 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.266 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.652 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 56.6 Cg_endo -70.86 46.46 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.003 2.469 . . . . 0.0 112.598 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.74 160.64 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.156 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 61.55 93.1 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.546 0.689 . . . . 0.0 111.126 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 77.5 m-85 -116.35 167.96 10.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.04 139.34 34.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.558 ' HG2' ' HZ1' ' A' ' 73' ' ' LYS . 18.9 mt-30 -63.28 108.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.352 0.407 . . . . 0.0 110.25 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 18.3 t90 -97.11 -65.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.04 -173.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.7 mt -138.11 108.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.536 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 52.4 mt-10 -106.66 97.09 6.93 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -103.34 161.29 13.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.614 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.13 114.51 27.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.548 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 82.9 mt -103.43 121.99 43.95 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.27 154.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.211 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.498 ' HB2' ' CB ' ' A' ' 122' ' ' PHE . 13.5 t60 -62.69 102.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.273 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 p -113.2 111.74 22.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.515 0.674 . . . . 0.0 111.158 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -104.41 132.68 50.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.79 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.29 9.94 73.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.175 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -140.14 129.12 23.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 110.405 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.68 116.24 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.04 86.08 7.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.218 0.533 . . . . 0.0 109.743 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 96.44 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.862 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 8.6 tp10 -92.14 120.46 32.75 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.29 99.44 9.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.281 0.562 . . . . 0.0 109.791 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 58.8 mt -86.37 106.75 15.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.795 -176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.17 102.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -144.48 153.05 41.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -115.35 126.02 53.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.151 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.68 131.8 2.46 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.819 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.9 m -90.65 108.44 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.47 52.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 111.713 -173.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.6 p -108.09 -27.69 9.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.557 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.428 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.3 m-85 -133.76 128.11 34.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.078 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.3 mt -114.76 129.82 56.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 64.3 ttt180 -110.85 110.12 20.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.639 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.487 ' HD2' HD13 ' A' ' 72' ' ' LEU . 45.3 m-85 -96.6 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.319 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -114.23 102.12 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.803 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.6 mt -81.74 94.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.59 -44.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -175.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.47 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 t -159.06 179.35 9.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.251 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -142.16 158.09 44.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.498 ' CB ' ' HB2' ' A' ' 95' ' ' HIS . 63.0 m-85 -74.66 -8.75 57.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.106 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.6 162.84 31.58 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -64.52 -29.14 70.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.702 0.287 . . . . 0.0 111.304 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -112.35 136.84 51.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.218 0.532 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.95 119.39 20.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -120.15 121.46 38.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.67 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.44 HG12 HD13 ' A' ' 30' ' ' ILE . 3.4 p -84.83 116.62 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 171.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -97.55 -28.05 14.13 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.191 -172.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -169.09 120.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.1 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 16.6 m -128.61 144.06 39.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.1 m -150.51 144.1 25.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.574 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.81 123.49 48.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -104.6 147.48 27.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.055 0.455 . . . . 0.0 110.473 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.69 -141.97 9.17 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.61 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -149.79 144.35 25.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.856 0.36 . . . . 0.0 111.88 -178.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.43 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.132 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 39.9 t -94.78 -37.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.553 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 14.6 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.772 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.434 HH21 ' CD ' ' A' ' 60' ' ' GLU . 37.5 ttt180 . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 6.9 pttp -128.28 81.14 2.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.155 0.978 . . . . 0.0 111.031 175.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 135' ' ' GLY . 6.5 tt -95.28 145.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.359 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.37 96.08 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.453 0.644 . . . . 0.0 110.535 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 16.9 mt -84.52 11.07 9.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.174 -173.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 23.6 p -91.83 -10.01 41.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 98.6 mt -68.3 137.23 54.52 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.379 0.609 . . . . 0.0 111.682 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.614 ' HB3' HD12 ' A' ' 31' ' ' ILE . 11.6 p -63.98 -21.95 66.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.403 171.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -74.87 -12.07 60.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.163 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -95.44 1.53 54.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.94 45.24 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.657 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -98.11 117.38 32.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.824 0.345 . . . . 0.0 110.143 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -103.38 144.44 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.787 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.6 HG11 HG12 ' A' ' 51' ' ' ILE . 14.7 m -89.95 133.27 32.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.814 172.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 17' ' ' LEU . 14.2 tt -131.3 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 16' ' ' ILE . 7.0 tp 72.24 -87.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.226 0.61 . . . . 0.0 110.219 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.75 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.819 0.699 . . . . 0.0 111.846 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -57.86 -26.9 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.5 t -151.94 95.38 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 110.31 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.6 t -94.37 109.23 21.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.694 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 15.5 t70 -95.99 149.27 21.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.104 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -59.1 -41.12 87.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.663 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -107.68 3.81 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.437 0.637 . . . . 0.0 110.605 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 56.6 m-70 -132.87 72.68 76.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -95.38 149.64 1.53 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.99 2.46 . . . . 0.0 113.452 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -75.92 1.88 7.68 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.198 2.599 . . . . 0.0 111.986 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.62 -37.87 89.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.822 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -80.76 2.0 28.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.801 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 129' ' ' HIS . 68.2 mt -79.62 -27.74 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.876 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.614 HD12 ' HB3' ' A' ' 9' ' ' SER . 17.4 pt -108.98 -4.92 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.266 -175.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 34' ' ' ASN . 2.0 p-10 -97.66 -26.15 14.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.504 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.39 15.18 81.34 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.914 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 87.4 m-20 -95.12 140.87 22.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.619 0.21 . . . . 0.0 110.756 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 9.1 Cg_exo -72.91 19.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.458 2.772 . . . . 0.0 112.808 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 34' ' ' ASN . 8.2 tp10 -61.75 -68.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 110.812 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.643 HG21 ' H ' ' A' ' 38' ' ' PHE . 5.1 m -138.8 176.85 8.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.437 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.643 ' H ' HG21 ' A' ' 37' ' ' THR . 43.3 p90 -141.37 155.43 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.704 0.288 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.509 ' HE3' HG13 ' A' ' 128' ' ' VAL . 61.9 t90 -90.8 109.88 21.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 11.4 t -109.24 144.46 37.33 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.464 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 8.8 p -76.36 146.24 38.91 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.024 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -8.79 57.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.551 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.39 15.88 28.74 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.117 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.2 ttt -105.72 74.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.99 144.39 92.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.02 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.62 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 87.9 Cg_endo -88.47 152.19 33.62 Favored 'Cis proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.79 -0.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 53.0 mt-30 -128.5 131.33 48.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.33 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.5 166.47 17.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.55 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.49 150.8 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.651 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.406 ' HB ' HG21 ' A' ' 16' ' ' ILE . 62.5 mt -118.19 137.67 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 -176.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.6 HG12 HG11 ' A' ' 15' ' ' VAL . 64.6 mt -121.13 130.89 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -108.55 124.02 49.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.504 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 96.3 m-85 -75.04 -16.6 60.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 72.73 2.03 4.21 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.101 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -159.7 168.84 25.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.917 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -84.86 108.14 17.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 110.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 m -114.59 151.0 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.737 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 30.0 ttm180 -99.23 114.88 27.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.0 mt -89.59 125.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.153 0.502 . . . . 0.0 110.043 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' CD ' HH21 ' A' ' 2' ' ' ARG . 3.4 tp10 -102.15 -36.03 8.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.887 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.735 ' HD2' ' HB3' ' A' ' 104' ' ' GLU . 45.7 ttp180 -163.39 149.57 11.87 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.331 -176.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.37 121.53 41.35 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.85 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 87.3 t -91.36 100.33 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.566 HG22 HG11 ' A' ' 131' ' ' VAL . 31.0 mm -94.27 109.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HG2' ' HB3' ' A' ' 102' ' ' ASN . 44.8 mt-30 -95.79 102.16 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.852 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 m -144.4 166.33 25.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.072 0.463 . . . . 0.0 111.002 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -135.32 117.2 15.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 57.45 87.16 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.89 0.744 . . . . 0.0 112.793 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.607 HG13 ' H ' ' A' ' 70' ' ' GLN . 1.4 t -118.67 -165.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.607 ' H ' HG13 ' A' ' 69' ' ' VAL . 43.1 tt0 -163.37 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 16.6 m -85.25 94.26 8.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.427 0.632 . . . . 0.0 109.988 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.452 HD11 ' HD2' ' A' ' 116' ' ' PHE . 15.7 tp -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.751 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.713 ' HG3' ' HB3' ' A' ' 90' ' ' GLU . 62.1 tttm -99.45 109.47 22.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.75 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.6 mt -97.6 113.62 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.95 0.405 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.556 ' CB ' ' HB3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -95.77 142.44 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.864 177.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -125.83 139.82 53.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.508 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.43 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 22.8 t -141.42 143.85 34.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.862 0.363 . . . . 0.0 110.358 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -110.68 14.44 22.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.563 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 t -84.6 167.84 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HB3' ' HZ3' ' A' ' 80' ' ' LYS . 8.2 mtpm? -87.09 -14.47 41.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 109.943 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.17 150.18 36.48 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.995 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.08 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.586 2.191 . . . . 0.0 112.431 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.98 160.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.8 t70 64.43 101.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.135 0.897 . . . . 0.0 111.282 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 94.4 m-85 -127.24 144.43 51.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.369 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.48 119.46 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.201 0.524 . . . . 0.0 109.653 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -97.55 -69.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.634 HG21 ' HD3' ' A' ' 91' ' ' LYS . 4.6 mt -137.63 97.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.977 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.713 ' HB3' ' HG3' ' A' ' 73' ' ' LYS . 9.0 pt-20 -104.9 108.39 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 174.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.634 ' HD3' HG21 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -155.44 160.56 40.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.719 -173.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.564 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 6.2 p-10 -118.24 95.99 5.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.654 0.74 . . . . 0.0 110.926 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -126.15 94.08 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.884 178.418 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.529 HG22 ' C ' ' A' ' 69' ' ' VAL . 59.5 t -136.72 98.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.139 0.495 . . . . 0.0 111.235 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -111.87 90.78 3.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.135 171.218 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 101' ' ' GLN . 50.8 p -131.87 109.23 9.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.15 100.47 10.06 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.732 168.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.11 36.83 62.13 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.519 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -140.14 136.41 33.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.998 0.399 . . . . 0.0 111.658 -169.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.94 101.84 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 96' ' ' THR . 26.1 tp60 -95.48 110.24 22.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 111.173 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.583 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -94.93 99.7 11.69 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 166.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.1 135.12 34.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.593 -169.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.735 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 43.5 mt-10 -94.62 99.61 11.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.72 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.57 103.83 13.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.884 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.16 96.49 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.043 0.449 . . . . 0.0 110.13 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.41 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -98.93 125.86 44.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.387 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 136.47 4.15 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.924 176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 p -92.65 132.86 36.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.42 158.64 40.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.191 0.519 . . . . 0.0 112.098 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.2 p -117.78 -34.25 4.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.515 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -126.03 128.27 47.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.164 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.504 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 28.2 mt -114.82 130.96 56.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 173.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.556 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 63.3 ttt180 -113.49 104.72 12.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.452 ' HD2' HD11 ' A' ' 72' ' ' LEU . 56.8 m-85 -90.62 103.88 16.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.781 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.4 mt -99.81 106.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.291 178.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.49 101.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.62 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 47.4 t -73.14 -57.26 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.589 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -138.16 167.23 22.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.05 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.84 160.23 40.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.409 ' HE1' ' HG3' ' A' ' 70' ' ' GLN . 3.6 m-30 -60.38 -30.04 69.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.992 0.425 . . . . 0.0 110.796 177.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 124' ' ' HIS . 10.8 t70 -122.65 -175.7 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.828 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.405 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 70.6 t60 -80.55 -22.32 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.849 0.356 . . . . 0.0 110.451 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.27 122.33 44.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.981 0.42 . . . . 0.0 110.839 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.06 116.79 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 14.9 m -112.12 137.08 50.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.894 -175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.509 HG13 ' HE3' ' A' ' 39' ' ' TRP . 14.7 p -126.91 139.75 50.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 0.0 110.117 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 16.6 t-80 -97.84 -56.62 2.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 47.5 t -164.55 127.89 2.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.716 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.566 HG11 HG22 ' A' ' 64' ' ' ILE . 7.0 m -98.28 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.332 0.587 . . . . 0.0 109.441 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.594 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 48.9 m -90.64 132.35 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.589 -172.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.53 114.39 28.53 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 46.6 mt-10 -93.98 130.76 39.97 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.508 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.59 -162.16 35.95 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.18 148.74 48.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 117.17 0.485 . . . . 0.0 109.969 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.51 134.99 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.34 -51.17 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.496 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 179.272 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HA ' ' CG2' ' A' ' 136' ' ' THR . 7.8 ptm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -125.28 105.61 9.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.07 0.462 . . . . 0.0 110.375 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 10.4 tt -155.45 131.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.404 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 132' ' ' SER . 19.7 m-20 -74.62 98.04 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.402 0.62 . . . . 0.0 109.992 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.597 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 50.0 mt -79.84 -1.31 38.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.886 -171.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 99.3 m -91.8 -3.48 56.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.669 0.271 . . . . 0.0 111.276 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.646 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 63.1 mt -68.64 148.03 51.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 111.886 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -62.51 -25.15 67.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.667 172.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -69.85 -20.41 63.42 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.423 0.63 . . . . 0.0 110.025 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.597 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 29.3 mm-40 -90.41 -3.89 57.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.936 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.62 4.9 82.47 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 m -83.61 119.6 24.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HA ' HD13 ' A' ' 31' ' ' ILE . 45.5 mt-10 -110.13 155.2 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -93.79 137.31 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.868 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.537 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.1 tt -141.56 131.16 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.542 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 69.78 100.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.604 175.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.81 131.43 46.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.245 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.642 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 18.5 m -72.09 -34.62 68.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 0.0 111.043 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -113.76 131.19 56.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 m -145.02 136.92 25.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.68 148.45 49.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.122 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.81 -25.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 111.177 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -94.52 -23.18 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.417 0.627 . . . . 0.0 109.683 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.15 78.06 59.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.195 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 5.9 Cg_exo -77.73 129.35 9.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.985 2.457 . . . . 0.0 112.705 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 11.1 Cg_exo -70.88 -5.8 17.71 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.185 2.59 . . . . 0.0 111.844 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.04 -29.71 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.631 ' HB2' HG23 ' A' ' 37' ' ' THR . 47.7 m-80 -95.7 1.78 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.899 -174.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 tt -63.7 -28.59 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 110.695 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 20.3 pt -86.6 -16.75 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.88 -20.08 39.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.724 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.1 47.04 86.07 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.237 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.36 117.32 67.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.22 . . . . 0.0 110.476 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.13 -16.56 55.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.872 2.381 . . . . 0.0 112.752 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -88.12 -2.44 58.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 29' ' ' ASN . 38.5 m -117.95 115.67 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -120.45 126.83 51.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.713 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HE3' HG13 ' A' ' 128' ' ' VAL . 72.3 t90 -97.02 132.35 42.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.162 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 t -127.13 156.04 42.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.621 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.507 HG23 HE21 ' A' ' 47' ' ' GLN . 62.3 p -84.29 149.46 26.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 p -91.4 16.63 9.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.045 0.45 . . . . 0.0 111.023 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.12 -1.76 88.43 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.261 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.1 ttt -92.33 95.7 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.426 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 97.3 m-85 -106.82 154.79 39.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.666 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.426 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 43.5 Cg_endo -68.07 154.64 88.13 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.814 -1.328 . . . . 0.0 112.897 1.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.642 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 6.8 tp-100 -110.44 111.98 23.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.304 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.5 pt-20 -118.19 140.04 50.39 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.965 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 41.5 p90 -150.09 139.62 21.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.562 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.537 ' HB ' HG23 ' A' ' 16' ' ' ILE . 53.5 mt -109.56 134.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 111.048 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.6 mt -113.77 121.66 66.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.77 118.78 37.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 111.465 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -72.13 -27.39 62.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.532 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 68.56 6.44 5.44 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.442 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HG3' HG11 ' A' ' 57' ' ' VAL . 58.8 pttt -150.1 173.72 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.864 0.364 . . . . 0.0 111.251 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -90.03 105.62 17.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.701 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.565 ' HB ' HD12 ' A' ' 6' ' ' LEU . 26.7 m -124.66 142.57 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.632 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -102.95 115.73 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 93.3 mt -89.73 136.79 22.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.034 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' CE1' ' A' ' 108' ' ' HIS . 5.8 tm-20 -113.73 -30.9 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -154.7 146.78 23.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.929 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.625 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 79.1 mt -113.37 126.51 55.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.8 t -104.8 98.55 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.698 HG22 HG22 ' A' ' 131' ' ' VAL . 14.4 mt -116.63 121.74 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 0.0 111.52 -174.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' OE1' HD11 ' A' ' 100' ' ' LEU . 8.8 tt0 -111.68 102.36 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.951 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.881 ' HB3' HG23 ' A' ' 128' ' ' VAL . 29.9 p -160.27 147.51 16.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.394 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.64 ' HE2' HD23 ' A' ' 100' ' ' LEU . 2.1 m-85 -125.78 158.95 33.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.664 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.611 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 66.5 m-85 72.37 -2.68 2.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.202 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.44 127.43 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -104.09 -72.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.785 0.326 . . . . 0.0 111.046 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 103.1 12.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 111.045 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 116' ' ' PHE . 36.3 tp -117.37 102.12 8.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.737 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.624 ' CG ' ' HB ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -89.95 120.54 31.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 109.741 179.006 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 89' ' ' ILE . 26.5 mt -93.26 117.34 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.912 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.464 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 29.5 tt0 -111.6 135.97 51.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.105 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.1 ptpp? -106.76 153.77 21.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.408 . . . . 0.0 111.503 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.754 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.3 t -143.16 142.15 31.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 169.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 21.34 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.393 0.616 . . . . 0.0 110.165 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.3 t -92.28 179.98 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.8 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 11.8 ptmm? -95.01 -14.6 24.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 0.0 110.224 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 10.2 mp0 -102.71 156.0 35.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.582 173.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.28 46.24 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.72 2.28 . . . . 0.0 112.192 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.73 -177.99 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.39 77.14 0.23 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.485 0.659 . . . . 0.0 110.311 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 25.3 m-85 -106.51 131.54 53.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.362 -176.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 33.7 tt0 -119.46 119.33 33.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.128 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -57.16 132.17 52.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.413 . . . . 0.0 110.426 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -102.4 -71.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.746 HG13 HD11 ' A' ' 74' ' ' ILE . 4.7 pt -144.47 125.05 8.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.707 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 42.9 tt0 -94.88 109.11 21.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.698 ' HG3' HD11 ' A' ' 105' ' ' ILE . 19.5 mmmt -100.57 119.22 38.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.319 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.61 112.49 24.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.883 172.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.83 144.26 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -91.81 148.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.33 134.55 34.81 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.936 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.83 123.05 39.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.512 168.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.82 121.18 41.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.913 -171.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.25 -27.58 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.121 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -100.38 135.54 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.64 HD23 ' HE2' ' A' ' 67' ' ' TYR . 2.4 tm? -100.99 112.8 25.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.83 0.347 . . . . 0.0 110.099 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -129.21 145.33 51.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -99.71 142.01 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -92.3 110.56 21.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.191 0.519 . . . . 0.0 109.776 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -88.24 108.56 19.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.624 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.698 HD11 ' HG3' ' A' ' 91' ' ' LYS . 61.9 mt -102.51 109.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.886 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.24 106.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.456 0.646 . . . . 0.0 110.077 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.22 109.54 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.461 -171.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 15.6 m-70 -103.28 110.21 22.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.22 157.69 30.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.741 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.9 m -104.56 123.39 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.95 149.0 32.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.5 p -106.13 -30.25 9.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.889 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.754 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 48.3 m-85 -127.38 129.39 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.65 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.3 mt -122.03 120.01 33.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.575 0.226 . . . . 0.0 110.567 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -106.76 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.935 0.398 . . . . 0.0 110.451 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.609 ' HB3' HD13 ' A' ' 72' ' ' LEU . 86.8 m-85 -89.79 117.05 28.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.653 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.624 ' HB ' ' CG ' ' A' ' 73' ' ' LYS . 55.9 mt -113.78 102.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.892 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 58.8 mt -86.08 111.58 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -77.54 -54.66 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.441 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -139.02 163.96 31.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 68' ' ' PHE . . . -129.89 170.73 13.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.203 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.611 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 70.4 m-85 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.191 0.519 . . . . 0.0 109.631 176.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -120.54 -172.37 2.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -93.4 -7.14 45.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 110.294 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.65 122.18 34.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.491 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.48 155.76 34.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.952 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 m -142.85 141.15 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 66' ' ' SER . 7.7 p -116.97 141.74 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -106.53 -32.69 7.96 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.877 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -168.19 136.5 2.29 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.778 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 64' ' ' ILE . 82.4 t -134.81 113.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.507 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 48.8 p -130.54 151.33 51.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.893 0.377 . . . . 0.0 110.989 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -115.88 116.69 28.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 38.2 mt-10 -94.09 153.3 18.2 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.212 0.529 . . . . 0.0 110.546 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.25 -139.34 6.49 Favored Glycine 0 N--CA 1.437 -1.25 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.536 ' CG2' ' HA ' ' A' ' 2' ' ' ARG . 18.3 p -142.16 126.8 17.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.961 0.41 . . . . 0.0 111.055 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.37 131.85 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.972 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.21 -52.16 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.977 0.418 . . . . 0.0 110.554 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 16.0 ptt180 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -138.87 132.8 31.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 0.0 110.895 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.45 HG23 ' HG ' ' A' ' 6' ' ' LEU . 8.6 tt -155.56 150.36 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.94 86.33 2.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 110.352 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.556 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 45.1 mt -77.0 -4.13 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.076 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 132' ' ' SER . 20.1 t -94.61 -3.11 50.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 71.3 mt -73.53 142.98 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 0.0 110.891 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.471 ' HB2' HD11 ' A' ' 31' ' ' ILE . 15.7 t -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -81.42 -11.38 59.27 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.279 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.42 25.51 7.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.268 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -126.01 120.31 29.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.53 164.61 15.04 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 51' ' ' ILE . 20.9 m -89.96 134.39 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 110.319 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 ' HB ' ' A' ' 50' ' ' ILE . 10.2 tt -129.94 133.55 64.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.144 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 65.65 91.77 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.26 133.27 56.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.792 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.411 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 30.9 m -62.07 -41.9 98.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.444 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -128.48 139.67 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 110.694 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -149.0 135.46 19.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.728 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -121.75 158.98 27.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -86.39 -20.22 28.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.229 0.538 . . . . 0.0 109.996 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -88.17 -20.98 24.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.708 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -131.32 84.79 55.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.482 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.5 Cg_endo -85.01 140.33 7.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.081 2.521 . . . . 0.0 112.548 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 32.1 Cg_exo -60.99 -14.7 34.55 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.31 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.97 -31.45 65.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.006 0.431 . . . . 0.0 110.36 174.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.93 -43.37 77.32 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.421 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.9 mt -64.64 -54.91 24.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.616 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.3 pt -84.74 -5.97 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.32 -18.86 18.11 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.575 173.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 49.14 6.39 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.607 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.8 OUTLIER -95.48 120.56 63.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.759 -177.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.669 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 5.7 Cg_exo -80.59 17.3 1.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.994 2.463 . . . . 0.0 112.421 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -81.62 -70.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -109.93 -170.71 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.33 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -143.86 153.19 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.438 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.576 ' HE3' HG11 ' A' ' 128' ' ' VAL . 88.9 t90 -92.16 121.98 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 t -122.16 157.32 31.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.997 0.427 . . . . 0.0 110.839 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.739 HG22 ' HG3' ' A' ' 47' ' ' GLN . 39.4 p -78.53 136.17 37.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.598 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -78.0 -8.01 57.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.699 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.48 -14.64 35.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.815 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.2 tpt -91.29 104.42 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.695 0.283 . . . . 0.0 110.279 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -95.75 156.31 37.49 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.421 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.796 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.0 Cg_endo -82.92 171.5 52.15 Favored 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.6 -1.417 . . . . 0.0 112.003 -1.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.739 ' HG3' HG22 ' A' ' 41' ' ' THR . 83.1 mm-40 -107.03 111.3 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.225 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.0 136.37 53.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 35.6 p90 -149.86 133.83 17.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.066 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.464 ' HB ' HG22 ' A' ' 16' ' ' ILE . 57.0 mt -100.13 142.07 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.021 -177.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 HG11 ' A' ' 15' ' ' VAL . 36.3 mt -117.59 118.98 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 p -101.35 119.84 39.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.69 ' HE2' ' HB2' ' A' ' 114' ' ' LEU . 88.0 m-85 -85.2 -20.43 30.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 44.6 m-70 72.53 -17.15 0.4 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.142 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -136.91 -179.82 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 0.0 110.993 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -88.16 108.56 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HB ' HD11 ' A' ' 6' ' ' LEU . 28.8 m -114.76 143.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.156 0.503 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.642 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 3.0 tpt180 -92.56 105.76 17.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 69.1 mt -89.91 129.29 41.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' OE1' ' HD2' ' A' ' 2' ' ' ARG . 20.3 tt0 -123.57 -35.54 2.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.845 0.355 . . . . 0.0 110.577 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -140.16 148.17 41.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.605 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.8 mp -112.68 116.42 30.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.975 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.26 110.72 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.397 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 mm -112.2 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.321 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -105.84 102.23 11.69 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.498 ' HB3' HG21 ' A' ' 128' ' ' VAL . 14.9 p -154.38 177.36 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.92 -177.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.676 ' HD2' HD22 ' A' ' 100' ' ' LEU . 2.4 t80 -129.22 145.86 51.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.784 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 67.56 -100.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.334 0.653 . . . . 0.0 111.592 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.888 HG13 ' H ' ' A' ' 70' ' ' GLN . 3.1 t 55.89 -168.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.849 -174.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.888 ' H ' HG13 ' A' ' 69' ' ' VAL . 6.4 tt0 -170.11 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -109.62 102.99 11.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.146 0.498 . . . . 0.0 111.361 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.9 tp -114.16 109.86 19.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.617 ' HE3' HD12 ' A' ' 117' ' ' ILE . 41.2 pttt -102.14 142.63 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 0.0 109.943 176.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.925 HD12 HG13 ' A' ' 89' ' ' ILE . 39.9 mt -113.45 119.77 61.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.852 -176.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 1.001 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 51.0 mt-10 -105.94 132.59 51.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.504 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -114.53 143.73 44.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.208 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -143.05 141.79 31.39 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -107.81 11.43 28.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.908 0.385 . . . . 0.0 111.394 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.4 p -86.73 178.68 6.95 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.761 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.28 7.21 46.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 108.918 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HB2' HG21 ' A' ' 83' ' ' VAL . 24.3 mt-10 -119.28 156.47 52.79 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.527 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.86 42.87 1.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.651 2.234 . . . . 0.0 112.191 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 81' ' ' GLU . 26.7 m -126.17 148.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 111.726 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t70 58.36 92.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.026 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 1.001 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 79.2 m-85 -113.78 122.07 45.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.58 134.09 36.22 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.483 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.67 106.55 2.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.094 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -75.79 -67.83 0.63 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.104 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.925 HG13 HD12 ' A' ' 74' ' ' ILE . 5.1 pt -140.93 143.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.91 111.69 19.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -114.03 120.38 40.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 4.7 p-10 -97.89 132.76 43.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.77 145.01 25.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.229 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.33 122.44 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -62.85 139.93 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.453 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.632 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 2.2 p -117.81 112.6 20.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 172.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.73 103.23 12.86 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.986 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.37 -1.54 53.82 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.189 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.632 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 23.0 mt-30 -122.26 118.53 28.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.676 HD22 ' HD2' ' A' ' 67' ' ' TYR . 3.5 tm? -89.0 116.6 27.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 173.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -107.28 141.07 39.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.44 0.638 . . . . 0.0 112.139 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -102.43 102.22 12.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 165.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.23 143.06 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.035 0.445 . . . . 0.0 111.233 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.76 108.46 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.351 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 70.2 mt -91.57 113.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.994 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.99 105.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.345 0.593 . . . . 0.0 111.197 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.13 120.78 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.908 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.655 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.4 p80 -107.82 121.97 45.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.368 0.604 . . . . 0.0 110.758 -177.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.0 -174.09 35.89 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.651 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -126.19 129.32 48.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.56 121.31 9.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 m -78.03 -31.8 50.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.729 0.776 . . . . 0.0 109.13 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -124.45 124.63 42.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.274 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.69 ' HB2' ' HE2' ' A' ' 53' ' ' PHE . 1.8 tm? -114.7 108.99 17.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -106.39 112.88 26.08 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 111.586 -171.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -90.77 134.34 34.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.36 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.617 HD12 ' HE3' ' A' ' 73' ' ' LYS . 58.6 mt -130.68 106.44 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 111.137 176.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.4 101.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.796 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 45.7 t -67.8 -49.87 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.616 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 t -154.33 169.13 24.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.843 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.12 30.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.001 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -64.28 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.87 170.85 7.66 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.98 -16.28 55.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.09 0.471 . . . . 0.0 110.158 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -118.29 122.42 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.324 0.583 . . . . 0.0 110.949 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.68 148.1 38.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.025 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -141.48 133.77 28.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.576 HG11 ' HE3' ' A' ' 39' ' ' TRP . 9.6 p -113.49 148.87 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.494 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.669 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 1.9 t-80 -106.31 -46.17 4.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.924 0.392 . . . . 0.0 110.349 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -171.05 152.71 3.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.77 146.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 64.7 m -136.44 145.04 44.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.27 117.18 33.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -93.93 135.3 35.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.642 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 163.59 -147.81 13.72 Favored Glycine 0 N--CA 1.437 -1.234 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.7 p -138.47 139.55 38.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.504 0.192 . . . . 0.0 110.604 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.0 120.7 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 0.0 110.162 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.5 t -77.94 -51.88 17.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 0.0 110.381 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.3 p . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.154 -179.025 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptm . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 2' ' ' ARG . 68.9 mtt180 61.58 -170.91 0.16 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.967 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 53.15 70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.3 0.572 . . . . 0.0 111.688 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.7 tt -103.25 158.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.252 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.581 ' HB3' HD11 ' A' ' 8' ' ' LEU . 57.6 m-20 -71.42 89.89 0.95 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.28 0.562 . . . . 0.0 111.069 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 26.0 mt -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.951 -172.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.501 ' O ' HG21 ' A' ' 31' ' ' ILE . 36.7 t -92.47 -4.06 54.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -168.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 5' ' ' ASP . 9.2 mp -91.38 158.26 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -174.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.755 ' HB2' HD13 ' A' ' 31' ' ' ILE . 26.9 t -74.21 -21.3 59.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.437 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m -63.47 -24.54 67.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.677 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -99.5 7.7 45.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.806 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.73 30.82 34.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.179 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -118.47 116.02 25.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.853 0.326 . . . . 0.0 110.178 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -109.05 175.46 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.948 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.58 147.6 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 111.272 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.711 HG22 ' HB ' ' A' ' 50' ' ' ILE . 4.7 tt -145.09 163.22 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.666 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 ' N ' HG12 ' A' ' 16' ' ' ILE . 1.0 OUTLIER 67.24 24.54 9.11 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.691 0.397 . . . . 0.0 112.006 169.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.12 106.49 2.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.786 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -56.34 -53.16 60.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.178 0.513 . . . . 0.0 110.812 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.544 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 45.0 t -108.84 105.2 14.66 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -125.12 117.82 24.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.125 0.488 . . . . 0.0 110.566 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 9.4 t0 -93.55 146.89 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.257 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.08 -22.84 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.784 -176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -102.92 -18.62 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.236 0.541 . . . . 0.0 110.204 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 57.4 m80 -111.04 74.61 1.01 Allowed Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.22 126.41 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.626 2.217 . . . . 0.0 113.614 -166.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.66 -16.48 19.39 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.361 2.707 . . . . 0.0 112.651 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.43 -22.83 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.611 0.243 . . . . 0.0 110.762 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.461 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 3.3 p30 -66.22 -27.44 67.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.68 -39.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 110.483 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.755 HD13 ' HB2' ' A' ' 9' ' ' SER . 13.9 pt -96.83 11.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.518 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.0 t70 -104.98 -59.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.262 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.19 31.2 6.29 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.988 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -97.22 122.84 54.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 117.342 0.571 . . . . 0.0 110.359 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.13 -31.3 92.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.448 2.765 . . . . 0.0 113.623 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.96 -16.48 63.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 p -115.72 146.68 41.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.839 0.352 . . . . 0.0 111.561 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -154.13 161.24 42.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.789 ' HE3' HG13 ' A' ' 128' ' ' VAL . 77.4 t90 -100.08 121.59 41.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 t -125.4 147.72 49.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.71 146.57 37.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 -176.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.5 p -88.47 3.5 49.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 110.41 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.49 0.83 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.013 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.544 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 1.4 mpt? -112.43 96.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.807 -0.231 . . . . 0.0 110.853 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -106.99 128.66 25.65 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.14 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.765 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.7 Cg_exo -76.67 164.26 87.88 Favored 'Cis proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.488 -1.463 . . . . 0.0 112.043 -1.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.584 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 8.3 pt20 -117.76 113.76 22.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.29 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.9 pt-20 -124.8 153.55 42.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 111.156 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.82 155.44 25.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.711 ' HB ' HG22 ' A' ' 16' ' ' ILE . 56.0 mt -113.19 140.35 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.934 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -109.21 118.39 56.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -93.8 109.38 21.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 91.9 m-85 -72.91 -29.03 62.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.015 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 141' ' ' LEU . 97.5 m-70 65.99 13.11 8.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.564 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.5 pttm -158.26 163.67 37.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.105 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 28.5 m-70 -88.25 107.47 18.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.5 HG12 ' HG3' ' A' ' 55' ' ' LYS . 27.2 m -114.59 149.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 0.0 OUTLIER -101.9 107.74 19.0 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.93 127.47 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.387 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.26 -28.52 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.212 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.722 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 64.1 mtt180 -144.96 154.92 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.097 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.535 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.9 mp -118.53 113.97 22.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.9 107.57 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.521 HG23 HG13 ' A' ' 131' ' ' VAL . 48.9 mt -119.07 118.28 57.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -113.5 102.2 10.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -140.53 170.96 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.749 0.309 . . . . 0.0 111.189 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.803 ' HH ' HD21 ' A' ' 100' ' ' LEU . 4.2 m-85 -122.58 153.88 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 73.38 -23.55 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 167.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.04 135.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 122.8 0.44 . . . . 0.0 112.186 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -113.87 -68.37 0.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 p -106.14 108.99 20.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.032 0.444 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 tp -107.71 103.3 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.624 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 31.0 tttp -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.838 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.55 ' HB ' HG13 ' A' ' 89' ' ' ILE . 58.1 mt -93.12 116.76 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.439 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 35.1 tt0 -117.0 142.9 46.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 11.3 ptmm? -122.5 154.97 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 111.914 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.527 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 44.4 t -140.71 140.82 34.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.928 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -121.32 25.41 9.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.51 0.672 . . . . 0.0 109.562 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -84.16 -171.49 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.208 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.806 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 20.3 ptmt -102.88 -15.54 16.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.841 176.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.806 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 38.4 mt-10 -119.17 165.18 17.84 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -70.1 46.11 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.294 2.663 . . . . 0.0 112.277 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 ' HB2' ' A' ' 81' ' ' GLU . 26.1 m -143.45 -178.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 122.905 0.482 . . . . 0.0 110.117 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.9 t0 57.25 84.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.387 0.613 . . . . 0.0 111.552 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 68.3 m-85 -116.82 166.98 11.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.33 134.93 34.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.309 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -64.95 118.08 8.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.448 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 8.1 t90 -96.16 -68.93 0.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.55 HG13 ' HB ' ' A' ' 74' ' ' ILE . 2.2 pt -144.82 95.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.297 0.57 . . . . 0.0 111.323 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.14 103.65 16.25 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -122.01 147.6 45.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.876 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.6 145.38 26.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.488 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.433 HD22 ' O ' ' A' ' 94' ' ' VAL . 5.1 tt -112.14 147.01 37.03 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.433 ' O ' HD22 ' A' ' 93' ' ' LEU . 68.0 t -81.47 132.66 30.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -57.05 106.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 101' ' ' GLN . 33.7 p -98.28 110.67 23.21 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.865 0.841 . . . . 0.0 112.058 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.58 101.18 10.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.667 -1.152 . . . . 0.0 110.111 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.94 21.71 78.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.223 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -125.52 117.81 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.023 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.803 HD21 ' HH ' ' A' ' 67' ' ' TYR . 26.6 mt -74.62 97.63 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 175.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.639 ' HB2' HG22 ' A' ' 96' ' ' THR . 8.4 tp-100 -93.62 103.55 15.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.83 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -83.37 112.15 19.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.38 110.15 21.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.446 0.641 . . . . 0.0 111.2 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.25 94.29 8.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.177 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 67.5 mt -95.28 110.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 m -82.45 87.67 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.783 0.801 . . . . 0.0 110.512 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.44 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -124.71 122.81 38.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.292 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -109.28 110.55 21.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.355 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.11 160.42 34.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.79 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.4 m -100.88 135.06 42.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.85 43.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.195 0.521 . . . . 0.0 111.842 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.5 p -118.41 -28.61 5.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.856 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.527 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 80.3 m-85 -137.01 142.62 42.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.814 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 82.6 mt -129.13 130.73 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.491 ' HG3' HG12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -110.93 108.9 18.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 32.7 m-85 -88.95 109.75 20.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.079 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.2 mt -105.67 97.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.315 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.584 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 30.9 mt -85.1 96.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.765 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 36.1 t -65.94 -51.27 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.989 -173.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.2 m -146.2 164.12 33.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.464 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.97 165.83 25.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.397 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.61 -21.24 61.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 109.949 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.12 151.82 37.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.032 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -78.45 11.56 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.074 0.464 . . . . 0.0 111.445 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -133.42 122.39 23.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.0 134.18 55.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 11.6 p -132.14 125.83 32.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.395 0.616 . . . . 0.0 111.63 -176.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.789 HG13 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -97.15 131.89 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -104.36 -40.27 6.15 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.79 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -156.16 131.48 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.638 0.256 . . . . 0.0 110.623 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 64' ' ' ILE . 18.1 m -136.41 140.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 22.7 t -149.87 147.08 27.52 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.62 125.91 51.53 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.722 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 64.3 mt-10 -94.09 107.67 19.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.336 0.589 . . . . 0.0 110.404 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -174.73 -147.52 6.19 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.26 156.01 42.56 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 117.54 0.67 . . . . 0.0 110.846 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.416 HG13 HG13 ' A' ' 57' ' ' VAL . 24.0 m -75.54 130.41 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.31 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.97 -41.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 110.421 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.408 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 15.6 m -132.42 124.73 29.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -79.4 137.72 37.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 49.5 tp -62.9 -52.19 64.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.756 0.312 . . . . 0.0 111.503 -174.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 p -91.67 8.31 37.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.118 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.612 -179.65 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.9 mpt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' HA ' HG21 ' A' ' 136' ' ' THR . 3.9 ptp85 -167.35 23.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -145.25 68.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.685 -0.806 . . . . 0.0 112.827 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tt -101.99 136.37 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -70.43 96.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.479 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.81 -8.02 59.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.941 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.0 m -92.97 -3.69 54.02 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.58 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 66.8 mt -65.93 137.23 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.166 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 13' ' ' SER . 16.8 m -66.31 -15.9 63.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.849 174.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -73.66 -23.9 59.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.583 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.8 -7.6 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.527 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.64 6.71 54.51 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.327 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 9' ' ' SER . 20.4 m -86.84 121.82 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.569 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -116.2 157.37 24.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -93.15 143.01 12.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.198 0.523 . . . . 0.0 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' HB ' ' A' ' 50' ' ' ILE . 8.2 tt -139.6 130.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.468 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.592 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.2 tt 70.34 90.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.671 0.607 . . . . 0.0 110.38 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.6 130.02 54.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.2 m -53.58 -55.31 26.82 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -117.98 145.39 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -145.56 132.05 19.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.714 0.292 . . . . 0.0 110.326 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -116.46 154.53 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.356 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.68 -40.78 69.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.168 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.57 -33.49 31.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.977 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -129.92 81.52 68.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.907 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HD2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 Cg_endo -73.56 155.65 49.95 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.51 2.14 . . . . 0.0 111.854 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.58 -9.51 18.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.048 2.499 . . . . 0.0 112.922 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.02 -14.0 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 0.0 110.23 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.501 ' OD1' ' HD2' ' A' ' 26' ' ' PRO . 10.7 m120 -86.1 -1.66 57.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.292 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 130' ' ' SER . 67.3 mt -69.99 -23.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.729 0.776 . . . . 0.0 109.109 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 40.2 mt -107.96 -87.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.075 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 20.6 t70 69.27 -46.14 0.57 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.901 0.88 . . . . 0.0 113.101 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.57 -6.44 33.58 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -121.17 113.16 32.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HA ' ' OG ' ' A' ' 130' ' ' SER . 16.8 Cg_exo -68.2 -6.62 17.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.177 2.584 . . . . 0.0 112.095 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.28 -17.56 61.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.569 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 159.74 15.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.177 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -153.9 158.79 41.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.838 0.351 . . . . 0.0 111.472 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.423 ' HE3' HG12 ' A' ' 128' ' ' VAL . 33.2 t90 -125.38 148.17 48.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.05 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 126' ' ' ALA . 7.9 t -136.97 147.51 46.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.816 0.341 . . . . 0.0 110.472 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -76.83 151.61 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 p -89.52 36.36 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 111.371 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.6 25.23 54.36 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.037 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 88.4 mtp -112.43 108.39 17.51 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -106.7 146.58 33.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.626 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.634 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -84.3 178.43 26.47 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.325 -1.531 . . . . 0.0 112.029 -1.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.445 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 1.0 OUTLIER -107.24 111.72 24.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.651 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.99 128.14 56.1 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.873 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 33.4 p90 -147.39 134.84 20.79 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.36 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 114' ' ' LEU . 67.1 mt -109.27 135.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -110.91 121.77 64.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 47.9 t -97.7 117.03 31.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.283 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.441 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 91.7 m-85 -72.76 -29.41 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.653 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 66.38 2.81 2.56 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.711 -174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.793 ' HD2' ' HA ' ' A' ' 140' ' ' ASN . 48.4 mtmt -136.54 173.35 11.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -172.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 22.8 m-70 -100.74 105.67 17.02 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 HG23 ' A' ' 137' ' ' VAL . 34.6 m -121.88 146.77 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.302 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -102.41 117.12 34.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.244 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 87.5 mt -89.67 129.35 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HB3' ' HA2' ' A' ' 135' ' ' GLY . 4.2 tp10 -111.58 -22.34 11.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.875 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.747 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 18.8 ttt180 -162.32 155.77 20.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.291 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.62 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -132.31 117.53 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.49 102.33 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.046 0.451 . . . . 0.0 109.819 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.16 124.58 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.912 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.51 102.45 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.087 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 24.2 m -149.96 -174.62 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.496 -175.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -140.0 159.83 41.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.187 175.098 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 65.48 -96.75 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.85 0.719 . . . . 0.0 111.191 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.874 HG11 ' H ' ' A' ' 70' ' ' GLN . 2.8 t 55.9 -168.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 123.538 0.524 . . . . 0.0 110.214 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.874 ' H ' HG11 ' A' ' 69' ' ' VAL . 36.2 tt0 177.44 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -118.42 101.49 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.435 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD11 HG12 ' A' ' 118' ' ' ILE . 43.9 tp -116.51 116.43 27.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.086 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.705 ' HE2' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -100.18 130.24 46.29 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.586 177.058 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.552 HD11 HG13 ' A' ' 89' ' ' ILE . 47.3 mt -98.71 102.57 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.889 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.705 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 18.2 tt0 -107.22 133.17 52.19 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.148 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -118.87 150.93 39.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 65.7 m -134.21 118.46 17.64 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.104 0.478 . . . . 0.0 110.293 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.42 32.08 3.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -85.29 164.15 18.19 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.251 -172.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -89.28 -16.48 31.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.388 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 62.9 mm-40 -116.5 164.21 19.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.672 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 84.8 Cg_endo -77.99 34.43 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.298 1.999 . . . . 0.0 112.514 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.9 m -137.32 -173.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.872 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 61.55 98.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.433 0.635 . . . . 0.0 110.052 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -105.44 128.46 53.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.533 -171.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -104.09 120.89 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.371 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 138.89 58.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.055 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -130.83 -79.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.841 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.552 HG13 HD11 ' A' ' 74' ' ' ILE . 5.5 pt -142.68 156.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.934 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -120.01 140.58 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.08 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HE3' HG12 ' A' ' 105' ' ' ILE . 35.4 mmtt -128.54 107.48 9.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.534 0.683 . . . . 0.0 111.399 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.44 126.28 45.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.05 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 69' ' ' VAL . 82.7 mt -111.26 152.79 26.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.607 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -112.87 147.81 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.78 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -64.99 103.31 0.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.178 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.5 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 2.6 p -91.6 137.28 32.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.719 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.91 117.1 32.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.47 -25.87 4.84 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.5 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 19.8 tt0 -93.53 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.329 . . . . 0.0 110.623 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.2 tt -77.88 137.19 38.23 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.505 ' N ' HD23 ' A' ' 100' ' ' LEU . 73.7 mm-40 -72.37 83.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 0.0 111.492 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.41 95.21 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 168.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.98 121.32 40.78 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -174.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.549 ' HG2' ' NH2' ' A' ' 61' ' ' ARG . 2.5 mp0 -99.13 92.99 5.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.607 0.718 . . . . 0.0 109.819 174.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.62 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 59.6 mt -86.87 95.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.674 -176.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.07 105.92 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.403 0.621 . . . . 0.0 109.961 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.84 131.74 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -99.44 120.58 39.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.79 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.452 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -167.1 140.05 6.08 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.466 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 m -100.52 131.34 46.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.47 155.63 39.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 111.803 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 p -106.73 -30.7 8.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.513 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 64.1 m-85 -130.11 137.88 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.259 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 32.7 mt -114.73 122.35 46.16 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.432 ' HE ' HD13 ' A' ' 117' ' ' ILE . 52.2 ttt85 -110.76 96.06 5.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.352 0.596 . . . . 0.0 110.425 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.26 123.17 30.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.579 HD12 ' HD2' ' A' ' 73' ' ' LYS . 81.8 mt -122.5 107.23 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.103 0.478 . . . . 0.0 110.97 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.581 HG12 HD11 ' A' ' 72' ' ' LEU . 52.9 mt -87.88 102.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.634 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -74.43 -41.05 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.929 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -151.07 160.7 43.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.601 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.56 162.35 37.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.601 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -64.26 -23.66 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.265 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 124' ' ' HIS . 14.9 t70 -126.04 -176.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.431 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 67.5 m-70 -90.9 -18.31 24.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 109.571 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.29 122.37 45.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.316 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.454 ' O ' ' HA ' ' A' ' 40' ' ' THR . . . -114.56 112.41 22.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.9 p -104.99 114.03 27.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 0.0 111.467 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.423 HG12 ' HE3' ' A' ' 39' ' ' TRP . 6.3 p -104.68 132.11 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.451 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -84.97 -64.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.606 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 42.1 m -152.59 144.22 23.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.55 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 13.3 m -121.04 122.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.888 175.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -120.59 138.43 53.9 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.475 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.45 26.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.747 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 53.5 mt-10 -94.24 139.94 30.41 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' A' ' 60' ' ' GLU . . . 171.05 -141.81 6.7 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.604 HG21 ' HA ' ' A' ' 2' ' ' ARG . 22.9 p -138.29 126.35 22.75 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.197 0.522 . . . . 0.0 110.433 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.69 HG23 HG11 ' A' ' 57' ' ' VAL . 7.9 p -84.34 137.02 21.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.522 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.32 -58.28 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.788 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.532 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 36.6 m -124.88 110.93 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -177.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.793 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 50.0 m-80 -85.91 90.99 8.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.096 0.474 . . . . 0.0 110.592 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.5 tp -93.58 54.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.508 0.67 . . . . 0.0 110.258 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.457 ' OG ' ' HD3' ' A' ' 55' ' ' LYS . 60.7 m -105.08 109.92 22.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.719 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.69 177.032 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 51.32 34.8 12.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 111.676 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -146.94 112.53 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 6.3 tt -154.01 146.24 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.134 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.36 93.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.684 HD12 ' HB ' ' A' ' 57' ' ' VAL . 89.9 mt -77.88 0.75 22.85 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.9 m -94.23 -3.61 50.43 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.211 -0.305 . . . . 0.0 111.566 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 74.6 mt -72.15 144.89 48.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 111.472 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -17.37 64.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 0.0 110.366 171.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -68.89 -22.46 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.416 0.627 . . . . 0.0 109.485 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.01 -15.98 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.889 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.88 5.31 35.81 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.326 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -81.51 144.21 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.102 0.477 . . . . 0.0 110.813 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.02 138.48 51.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.309 -175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.1 125.96 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 109.956 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.642 HG22 ' HB ' ' A' ' 50' ' ' ILE . 3.8 tt -124.58 114.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.835 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' HG ' HG12 ' A' ' 16' ' ' ILE . 87.0 mt 73.97 131.85 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.52 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.56 146.4 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -66.01 -35.88 81.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 m -127.85 147.48 50.45 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -144.27 106.04 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 0.0 110.097 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -104.26 150.6 24.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.26 -13.58 32.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.05 0.452 . . . . 0.0 110.584 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -89.59 -36.2 15.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -116.97 84.63 16.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.315 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -66.92 127.44 16.94 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.442 2.095 . . . . 0.0 111.893 -175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' O ' HG23 ' A' ' 30' ' ' ILE . 51.4 Cg_exo -56.17 -29.92 77.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.929 2.42 . . . . 0.0 111.86 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.55 -17.97 57.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.382 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -84.81 -3.49 58.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.637 0.256 . . . . 0.0 110.889 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 HG22 HG23 ' A' ' 31' ' ' ILE . 10.7 tt -70.41 -27.7 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.249 0.547 . . . . 0.0 109.873 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 HG23 HG22 ' A' ' 30' ' ' ILE . 15.1 pt -102.34 6.43 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.854 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.94 -57.84 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.24 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.27 -8.39 35.45 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.063 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -83.59 131.46 52.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.787 0.794 . . . . 0.0 110.756 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.47 13.77 1.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.813 2.342 . . . . 0.0 112.875 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.53 -40.21 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.242 0.544 . . . . 0.0 110.0 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -151.1 119.27 6.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.669 175.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 30.1 p90 -112.6 164.66 13.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.5 144.24 28.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.325 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 t -147.04 141.66 26.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.508 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.644 HG23 ' H ' ' A' ' 43' ' ' GLY . 27.5 m -78.61 138.39 38.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.286 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -85.54 6.3 27.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.723 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.644 ' H ' HG23 ' A' ' 41' ' ' THR . . . 104.8 47.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.854 172.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 51.5 ttp -123.47 117.62 25.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 117.211 0.505 . . . . 0.0 109.807 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -106.5 141.06 22.0 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.985 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.4 165.48 80.41 Favored 'Cis proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.581 -1.425 . . . . 0.0 112.275 -0.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.619 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 57.2 mt-30 -106.99 111.51 24.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.68 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.165 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.1 149.12 28.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.741 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.642 ' HB ' HG22 ' A' ' 16' ' ' ILE . 42.8 mt -118.99 143.67 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.035 0.445 . . . . 0.0 110.837 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.15 118.66 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 54' ' ' HIS . 53.7 t -102.78 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.46 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.6 m-85 -71.28 -20.19 62.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.792 -176.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.473 ' HD2' ' SG ' ' A' ' 52' ' ' CYS . 17.3 m170 63.44 12.57 6.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.377 0.423 . . . . 0.0 110.694 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -161.23 154.99 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.087 -168.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -88.03 115.79 25.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.684 ' HB ' HD12 ' A' ' 6' ' ' LEU . 15.9 m -125.41 141.72 44.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.233 0.54 . . . . 0.0 111.628 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.612 ' HG2' HG22 ' A' ' 138' ' ' VAL . 15.5 mmm-85 -84.3 108.12 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.739 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -95.5 117.38 39.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 O-C-N 123.657 0.598 . . . . 0.0 109.788 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -124.6 4.64 8.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 0.0 109.609 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 16.2 tpp85 -158.34 136.19 10.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.649 -177.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 88.8 mt -123.64 115.31 21.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.87 102.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 35.2 mm -100.22 105.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.27 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -108.55 105.48 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 p -140.42 165.68 26.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.861 0.363 . . . . 0.0 111.838 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.21 128.6 56.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.186 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 69.32 -93.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.785 0.678 . . . . 0.0 111.687 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.895 HG13 ' H ' ' A' ' 70' ' ' GLN . 2.7 t 52.65 -158.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 O-C-N 123.363 0.415 . . . . 0.0 109.917 -176.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.895 ' H ' HG13 ' A' ' 69' ' ' VAL . 28.8 tt0 177.53 -72.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.262 0.625 . . . . 0.0 109.745 175.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 m -110.41 100.07 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.4 tp -118.34 113.58 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.684 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -100.94 123.26 44.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.983 0.421 . . . . 0.0 110.157 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.652 HD11 HG13 ' A' ' 89' ' ' ILE . 66.4 mt -93.11 118.53 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.975 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.772 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 14.3 tt0 -105.43 133.84 49.53 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 88' ' ' TRP . 22.2 ptmt -112.81 144.33 42.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.759 0.314 . . . . 0.0 111.303 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.79 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.5 t -143.02 136.87 28.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.611 HG21 ' HA ' ' A' ' 111' ' ' ALA . 0.8 OUTLIER -132.05 24.15 4.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.977 177.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -92.83 14.23 18.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.861 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 71.81 -49.29 0.69 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.172 0.589 . . . . 0.0 111.029 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -86.31 158.68 54.71 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.75 56.35 2.89 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.829 2.353 . . . . 0.0 111.745 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.92 172.97 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.25 52.47 12.03 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.081 0.863 . . . . 0.0 112.509 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.754 ' HB2' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -93.5 128.61 39.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.01 174.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -123.16 157.9 31.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.163 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.01 125.27 23.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.113 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.404 ' CG ' ' HD2' ' A' ' 76' ' ' LYS . 9.7 t90 -100.75 -74.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.652 HG13 HD11 ' A' ' 74' ' ' ILE . 4.7 pt -141.76 105.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.309 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 73' ' ' LYS . 9.0 pt-20 -96.28 134.91 38.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.082 0.468 . . . . 0.0 110.06 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -128.36 141.52 51.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.655 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.8 p-10 -94.89 127.97 41.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 170.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.65 162.25 13.07 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.23 139.56 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.063 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.96 105.69 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.804 0.335 . . . . 0.0 110.487 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.525 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.6 p -96.51 140.89 30.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.296 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -103.86 103.69 13.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.713 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.04 13.49 76.05 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.625 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.525 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.8 mm100 -121.45 144.8 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.906 0.384 . . . . 0.0 111.048 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 129' ' ' HIS . 6.9 mt -80.09 127.51 32.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.582 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -85.37 94.13 8.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.012 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 84.9 m-20 -102.03 104.79 15.47 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.58 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.0 112.55 25.58 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.979 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.59 85.61 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 62.2 mt -79.99 125.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.627 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.07 86.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.49 118.09 35.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.311 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -99.07 104.68 16.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.017 0.437 . . . . 0.0 109.901 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.21 -172.17 34.1 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.867 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 m -143.3 136.7 28.22 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.611 ' HA ' HG21 ' A' ' 78' ' ' THR . . . -148.92 147.94 29.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 15.8 p -100.78 -25.16 14.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.79 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 63.3 m-85 -132.69 127.2 34.29 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.106 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.46 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.2 mt -114.97 116.3 28.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.772 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 62.6 ttt180 -106.62 106.78 17.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.769 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -89.75 115.22 26.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.684 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 68.8 mt -114.16 102.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.438 0.637 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.619 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 58.5 mt -86.82 101.12 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.038 174.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.7 t -68.22 -42.82 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.373 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 p -154.98 163.16 40.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.455 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -139.29 162.54 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -67.13 -31.56 72.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 110.468 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.46 168.15 9.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.002 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.33 -22.43 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.016 0.436 . . . . 0.0 110.41 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -115.92 148.33 40.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.88 139.86 43.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.239 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -127.42 142.85 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.4 p -114.6 138.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.458 ' HB2' HD21 ' A' ' 100' ' ' LEU . 10.7 t60 -96.01 -55.84 2.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 m -158.54 125.65 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.116 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.26 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.368 0.604 . . . . 0.0 109.972 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.7 m -109.26 148.33 31.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.843 -172.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.67 123.81 51.13 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 27.5 mt-10 -107.18 150.73 26.3 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.161 0.505 . . . . 0.0 110.855 -176.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 154.3 -130.92 3.03 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 163.0 39.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.063 0.432 . . . . 0.0 111.37 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -84.49 132.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.759 0.314 . . . . 0.0 111.228 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.612 HG22 ' HG2' ' A' ' 58' ' ' ARG . 40.9 t -89.84 -71.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 p -143.05 147.27 34.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.42 152.01 21.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.686 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.7 mp -93.85 46.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 m -58.31 -38.0 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.096 -173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.532 -178.854 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -88.9 154.81 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.95 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 51.3 mttm 70.46 89.43 0.1 Allowed 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.771 0.796 . . . . 0.0 110.926 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tt -138.59 145.41 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.657 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.28 102.78 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 110.314 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' A' ' 57' ' ' VAL . 30.7 mt -83.77 4.83 27.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.052 -174.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.23 -5.61 46.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.53 133.09 46.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.949 0.404 . . . . 0.0 111.338 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.705 ' HB3' HD12 ' A' ' 31' ' ' ILE . 54.8 p -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.202 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -78.64 -17.65 55.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.812 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -87.01 -9.48 55.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.512 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.58 35.27 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.286 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 135.27 41.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.033 0.444 . . . . 0.0 110.23 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -137.93 134.47 35.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.937 -173.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.774 HG21 ' HB2' ' A' ' 27' ' ' PRO . 15.3 m -84.27 130.44 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.278 0.561 . . . . 0.0 110.674 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.408 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.8 tt -130.67 133.08 63.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 62.14 80.11 0.24 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.656 0.741 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.47 143.91 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.053 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -68.76 -38.33 80.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.812 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -167.35 169.63 12.19 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.586 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 34.4 t -172.6 159.77 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.882 ' HB2' ' HB2' ' A' ' 25' ' ' HIS . 7.3 m-20 -92.19 161.96 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HG3' ' HG3' ' A' ' 24' ' ' LYS . 8.1 pt-20 -76.37 -36.54 58.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.868 0.366 . . . . 0.0 110.54 177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 63.7 mttp -99.79 -0.5 39.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.447 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.882 ' HB2' ' HB2' ' A' ' 22' ' ' ASP . 28.5 m80 -129.27 72.48 81.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -93.18 162.59 2.54 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.952 2.434 . . . . 0.0 113.187 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.2 Cg_exo -66.71 -12.38 35.67 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.904 2.402 . . . . 0.0 111.119 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -56.57 -31.01 63.8 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.515 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 29.1 t-20 -69.88 -30.81 68.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.8 -35.23 72.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.181 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.705 HD12 ' HB3' ' A' ' 9' ' ' SER . 31.0 pt -98.79 6.59 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.596 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 19.0 t70 -101.26 -67.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.86 27.17 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.585 -0.817 . . . . 0.0 114.246 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 49.5 t30 -84.32 116.75 66.49 Favored Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 117.724 0.762 . . . . 0.0 110.588 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.52 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 24.6 Cg_exo -63.64 -14.14 40.9 Favored 'Trans proline' 0 N--CA 1.477 0.551 0 C-N-CA 123.667 2.911 . . . . 0.0 114.26 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.35 -27.71 69.2 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.402 HG23 ' ND2' ' A' ' 29' ' ' ASN . 9.2 t -138.53 163.82 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.4 p90 -154.2 169.48 23.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.29 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.657 ' HE3' HG13 ' A' ' 128' ' ' VAL . 82.1 t90 -94.43 113.53 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 0.0 109.64 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t -103.42 146.32 28.67 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.1 p -76.67 125.62 29.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.96 11.02 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.885 0.374 . . . . 0.0 111.716 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.14 14.61 51.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.993 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.522 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 25.6 mmt -94.22 88.82 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.757 -0.261 . . . . 0.0 110.549 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.85 132.64 20.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.968 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.62 163.58 74.06 Favored 'Cis proline' 0 C--O 1.234 0.314 0 C-N-CA 123.256 -1.56 . . . . 0.0 112.347 -1.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.522 ' HB3' ' O ' ' A' ' 44' ' ' MET . 14.6 pt20 -134.71 149.82 50.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -135.82 150.35 49.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.262 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -148.9 133.04 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.486 HG12 ' HG3' ' A' ' 115' ' ' ARG . 58.0 mt -105.93 134.83 46.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.913 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.36 114.77 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.448 . . . . 0.0 109.918 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 t -93.89 112.04 23.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.9 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.55 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 90.9 m-85 -71.95 -19.17 61.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.023 0.44 . . . . 0.0 109.887 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 67.59 -2.51 1.32 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.326 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.596 ' HB3' HD23 ' A' ' 141' ' ' LEU . 59.3 pttt -147.68 176.71 9.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.586 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 51.3 m-70 -95.61 115.51 27.54 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.694 ' HB ' HD11 ' A' ' 6' ' ' LEU . 19.3 m -117.5 140.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.25 0.548 . . . . 0.0 111.177 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 58' ' ' ARG . 38.9 ttm180 -96.64 108.39 20.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.254 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 70.7 mt -92.24 126.86 44.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.39 -44.43 7.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.595 ' HG2' ' HA ' ' A' ' 106' ' ' VAL . 82.7 mtm180 -144.01 151.26 39.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.4 mp -109.89 108.97 19.44 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.2 t -91.34 98.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.819 HG22 HG12 ' A' ' 131' ' ' VAL . 45.9 mt -105.92 119.56 55.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.37 102.21 12.14 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 128' ' ' VAL . 36.2 p -149.56 143.22 25.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.571 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -128.11 145.06 51.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.41 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 38.6 m-85 74.74 2.31 4.01 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.02 0.825 . . . . 0.0 112.209 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.582 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 32.1 t -76.69 144.22 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 3.9 tm0? -113.2 -88.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.901 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.418 ' H ' ' HB3' ' A' ' 70' ' ' GLN . 40.9 m -86.98 106.56 17.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.026 -177.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD12 ' HD1' ' A' ' 116' ' ' PHE . 27.0 tp -114.77 114.59 25.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.634 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 86.2 tttt -95.94 115.67 27.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.495 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.505 HD11 HG13 ' A' ' 89' ' ' ILE . 52.5 mt -93.45 99.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.657 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 20.0 tt0 -96.78 136.65 37.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.477 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . 27.4 ttmt -106.59 138.76 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.769 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 33.1 m -136.1 128.57 30.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.01 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 111' ' ' ALA . 44.0 p -109.22 12.67 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.365 0.602 . . . . 0.0 110.49 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.416 ' HG ' ' HB3' ' A' ' 84' ' ' ASP . 17.6 m -85.53 171.39 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.907 -176.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 12.8 tmtt? -76.99 -28.92 55.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -100.8 161.03 25.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.593 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 44.67 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.427 2.084 . . . . 0.0 112.353 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.79 179.75 3.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.485 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HB3' ' HG ' ' A' ' 79' ' ' SER . 9.9 t70 64.91 87.53 0.11 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -174.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -103.7 133.8 48.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.777 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.57 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 10.4 pt-20 -124.61 142.5 51.32 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 170.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.74 98.18 10.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.976 0.417 . . . . 0.0 110.471 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -75.46 -73.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.395 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.57 HD12 HG22 ' A' ' 105' ' ' ILE . 1.1 pt -147.82 107.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.162 0.506 . . . . 0.0 111.831 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -91.97 113.4 25.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -123.92 129.25 50.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 110.415 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 13.6 p-10 -95.16 131.94 40.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.092 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 30.8 tp -80.65 148.24 30.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.454 -177.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.09 168.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -106.82 121.08 43.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.874 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 13.5 p -131.65 111.39 11.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 173.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -68.59 111.98 5.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.069 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.48 3.3 66.01 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.554 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.874 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 16.2 mm100 -109.22 115.44 30.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.6 97.92 9.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -95.84 116.22 28.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.48 135.65 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.463 ' HG3' HG13 ' A' ' 105' ' ' ILE . 14.7 tp10 -97.37 101.94 13.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.239 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -96.56 100.35 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 89' ' ' ILE . 77.2 mt -91.62 104.96 16.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.595 ' HA ' ' HG2' ' A' ' 61' ' ' ARG . 4.0 p -78.32 98.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.944 0.878 . . . . 0.0 110.414 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.74 121.76 14.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.704 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 47.1 m80 -99.11 114.32 26.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.361 . . . . 0.0 110.533 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.61 178.26 34.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.356 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -138.26 123.66 19.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -144.85 164.53 30.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.929 0.395 . . . . 0.0 111.311 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.7 p -110.37 -29.28 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.677 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.769 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 50.8 m-85 -127.84 131.14 49.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.494 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.55 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 33.1 mt -114.77 123.62 49.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 171.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.657 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 66.4 ttt180 -106.48 100.14 9.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.873 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.523 ' HD1' HD12 ' A' ' 72' ' ' LEU . 57.1 m-85 -88.51 109.6 20.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.145 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 64.0 mt -106.81 115.01 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.442 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.5 mt -98.36 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.57 -43.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.957 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -143.96 159.97 41.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -140.16 170.37 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.871 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -74.33 -20.29 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.461 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.59 174.23 10.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -79.71 -16.76 55.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.005 0.431 . . . . 0.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -117.03 122.32 43.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.001 0.429 . . . . 0.0 110.367 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.24 171.15 8.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.737 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -145.25 127.9 16.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.392 . . . . 0.0 111.019 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.657 HG13 ' HE3' ' A' ' 39' ' ' TRP . 13.5 p -120.23 127.64 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 171.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.52 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 19.2 t60 -97.02 -41.55 8.32 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.885 -176.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.8 t -164.09 129.01 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.849 0.357 . . . . 0.0 110.654 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.819 HG12 HG22 ' A' ' 64' ' ' ILE . 10.2 m -109.76 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 m -90.75 137.9 32.0 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.636 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . . . -105.22 108.93 20.71 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.435 ' OE2' ' HG2' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -97.76 121.48 39.72 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.094 0.473 . . . . 0.0 110.016 -176.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.22 1.01 Allowed Glycine 0 N--CA 1.438 -1.212 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.7 p -146.41 145.88 30.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.5 m -76.96 105.35 5.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.271 0.557 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.47 -34.27 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.539 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.718 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 45.5 m -155.52 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.508 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 90.9 m-20 -78.78 -164.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.596 HD23 ' HB3' ' A' ' 55' ' ' LYS . 4.5 mm? -66.76 -36.58 82.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.5 m -154.09 -49.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.443 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.188 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 42.2 ttm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 1' ' ' MET . 42.9 ttm105 68.79 124.56 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -168.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 64.1 tttp 63.0 35.54 13.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 122.58 1.181 . . . . 0.0 107.892 -168.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.6 tt -95.29 138.22 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 -177.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -71.09 111.81 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.022 0.439 . . . . 0.0 109.824 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.719 HD11 ' HB ' ' A' ' 57' ' ' VAL . 13.5 mt -98.83 0.89 45.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.151 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.443 ' HG ' ' HE1' ' A' ' 53' ' ' PHE . 73.1 m -94.05 -3.98 50.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.78 0.324 . . . . 0.0 111.563 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 140.68 58.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.995 0.426 . . . . 0.0 111.062 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -78.76 -19.17 52.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.259 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -82.68 -10.58 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.357 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.94 3.49 42.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 m -83.78 138.83 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.975 0.417 . . . . 0.0 111.207 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -126.45 179.41 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.134 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.47 149.73 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.77 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.479 HG22 ' HB ' ' A' ' 50' ' ' ILE . 13.6 tt -141.12 156.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.653 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.9 tt 73.2 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.734 0.813 . . . . 0.0 110.364 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 55.45 92.99 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.584 0.552 . . . . 0.0 112.149 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -61.05 -53.37 58.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.67 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -84.79 81.21 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -102.94 120.15 40.11 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -97.77 141.84 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -94.29 -5.81 45.87 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.843 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.17 -31.85 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.319 0.58 . . . . 0.0 109.469 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -120.86 86.35 41.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 Cg_exo -73.61 156.02 49.54 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.003 2.468 . . . . 0.0 112.969 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 48.8 Cg_exo -59.11 -13.96 21.59 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.784 2.99 . . . . 0.0 113.676 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.58 -20.89 61.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.135 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.566 ' OD1' ' HB ' ' A' ' 37' ' ' THR . 0.9 OUTLIER -78.94 1.66 22.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.333 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.95 -30.83 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.236 0.541 . . . . 0.0 110.07 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.809 HG13 ' H ' ' A' ' 32' ' ' ASP . 5.6 pt -118.9 -86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.98 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.809 ' H ' HG13 ' A' ' 31' ' ' ILE . 22.8 t70 68.7 -51.16 0.57 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.747 0.819 . . . . 0.0 112.884 175.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.62 -0.52 32.38 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -174.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.3 t-20 -143.46 113.84 5.62 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 7.3 Cg_exo -74.59 19.19 0.47 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.051 2.501 . . . . 0.0 114.148 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -71.87 -46.05 59.24 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.001 -0.437 . . . . 0.0 109.99 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.566 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 23.6 p -91.47 153.31 19.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -154.05 154.18 33.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.185 0.516 . . . . 0.0 111.661 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -95.65 125.53 40.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.466 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -114.03 159.21 20.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.097 0.475 . . . . 0.0 110.753 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.485 ' HB ' ' H ' ' A' ' 126' ' ' ALA . 15.9 m -94.61 123.95 38.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.913 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 27.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.678 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.517 ' HA2' ' O ' ' A' ' 124' ' ' HIS . . . 88.06 -11.78 66.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.414 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.0 ttt -86.46 103.87 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.976 0.417 . . . . 0.0 111.763 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.44 150.89 40.06 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.604 171.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.874 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 4.4 Cg_exo -78.22 161.07 91.11 Favored 'Cis proline' 0 C--N 1.343 0.262 0 C-N-CA 123.716 -1.368 . . . . 0.0 112.234 -1.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 4.3 pt20 -118.95 126.85 52.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.602 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG2' HG21 ' A' ' 117' ' ' ILE . 28.8 mt-10 -118.71 133.46 55.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.636 -177.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -145.81 142.78 29.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.479 ' HB ' HG22 ' A' ' 16' ' ' ILE . 55.2 mt -114.71 135.28 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.026 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -105.88 126.63 61.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.7 t -102.15 114.17 28.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.119 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' HE1' ' HG ' ' A' ' 7' ' ' CYS . 98.6 m-85 -78.49 -16.6 57.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.087 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 69.35 -5.62 1.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.01 0.524 . . . . 0.0 111.669 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.605 ' HB2' ' HG ' ' A' ' 139' ' ' SER . 49.8 pttt -151.62 166.91 29.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.312 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -82.65 124.13 29.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.719 ' HB ' HD11 ' A' ' 6' ' ' LEU . 19.1 m -130.45 141.66 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.063 0.459 . . . . 0.0 111.459 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.2 ttm180 -89.42 114.78 26.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -98.2 126.31 51.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 23.7 tt0 -107.68 -36.87 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 87.5 mtt180 -137.89 142.55 40.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 111.015 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.9 mp -110.03 111.76 23.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.856 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 53.0 t -91.0 98.72 8.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 62' ' ' LEU . 11.1 mm -102.21 112.59 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.05 -174.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -107.56 102.22 11.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 109.993 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -151.11 176.58 11.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.533 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.56 ' HD2' ' HG ' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -141.26 153.96 45.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.49 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 45.6 m-85 77.14 -25.9 0.19 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.689 0.796 . . . . 0.0 112.632 172.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.596 HG13 HG21 ' A' ' 118' ' ' ILE . 48.5 t -53.84 146.04 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.95 0.5 . . . . 0.0 111.793 -178.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -120.23 -63.65 1.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.482 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.546 ' HG1' ' HB ' ' A' ' 119' ' ' VAL . 17.0 p -108.88 115.73 30.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.727 HD12 ' HD2' ' A' ' 116' ' ' PHE . 19.8 tp -116.25 108.47 16.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.351 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 35.0 tttp -89.79 124.43 34.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.553 -176.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.59 HD13 HG13 ' A' ' 89' ' ' ILE . 20.3 mt -122.18 108.76 22.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.381 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.726 ' HG3' ' HA ' ' A' ' 87' ' ' GLN . 2.6 mp0 -102.26 150.5 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.9 ptpp? -107.06 141.17 38.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.671 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 52.9 m -135.1 127.3 30.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.6 p -105.53 -3.68 22.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.901 0.381 . . . . 0.0 111.271 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 m -76.96 163.56 26.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -84.4 -16.49 42.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -78.96 149.86 74.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.25 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.14 38.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 26.4 m -136.69 -173.95 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.9 t0 64.15 80.45 0.23 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.128 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.414 ' CE2' ' HA ' ' A' ' 83' ' ' VAL . 96.9 m-85 -106.71 100.56 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.22 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -88.86 111.6 22.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.732 178.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.726 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 10.3 tt0 -50.72 114.36 1.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -175.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -92.96 -72.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.382 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.59 HG13 HD13 ' A' ' 74' ' ' ILE . 1.8 pt -141.8 114.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.434 0.635 . . . . 0.0 111.917 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -78.96 96.07 5.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HG2' HD11 ' A' ' 105' ' ' ILE . 28.6 tptp -100.16 143.01 30.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.235 0.541 . . . . 0.0 111.43 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.05 141.23 32.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.537 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.499 HD11 ' HB ' ' A' ' 69' ' ' VAL . 6.5 tt -126.23 146.22 50.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 93' ' ' LEU . 44.3 t -119.15 142.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.618 -174.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -71.58 92.0 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.682 HG22 HE21 ' A' ' 99' ' ' GLN . 4.3 p -78.56 131.54 36.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.34 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -83.46 127.92 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.418 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.98 17.73 59.06 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.619 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.682 HE21 HG22 ' A' ' 96' ' ' THR . 22.9 tt0 -140.59 127.96 21.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.859 0.362 . . . . 0.0 110.72 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.56 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 2.8 tt -89.52 115.97 27.33 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 171.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -73.14 89.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.213 0.53 . . . . 0.0 111.591 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.93 95.3 10.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -110.46 122.91 48.88 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.22 -175.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.93 102.02 11.42 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 80.4 mt -79.66 106.47 10.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.17 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -76.3 91.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.508 0.67 . . . . 0.0 110.345 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.08 120.54 26.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.64 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -98.98 113.71 26.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.89 -176.28 36.43 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.101 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -131.59 137.97 48.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.76 165.33 34.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.299 0.571 . . . . 0.0 111.847 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 m -121.25 -33.46 3.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.719 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.671 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 40.6 m-85 -129.89 146.9 51.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.389 173.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 52.0 mt -129.98 130.04 44.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 117' ' ' ILE . 7.8 ttm180 -106.42 115.38 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.727 ' HD2' HD12 ' A' ' 72' ' ' LEU . 75.3 m-85 -98.35 113.57 25.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.151 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.744 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.1 mt -110.94 101.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.106 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.596 HG21 HG13 ' A' ' 69' ' ' VAL . 59.6 mt -82.58 97.17 4.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 174.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.874 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.0 t -72.17 -57.4 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.053 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -134.83 156.34 49.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.054 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.05 161.15 38.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.16 -18.51 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.27 0.557 . . . . 0.0 110.159 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.52 ' HB2' ' HB3' ' A' ' 68' ' ' PHE . 4.4 m-20 -124.24 168.66 12.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.786 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.517 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 64.8 t60 -91.08 10.4 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.969 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -149.91 155.39 39.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.485 ' H ' ' HB ' ' A' ' 41' ' ' THR . . . -149.08 158.6 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.2 t -143.15 131.49 22.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.332 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.51 138.15 26.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.3 -23.69 8.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.828 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.2 p -171.11 142.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.994 0.426 . . . . 0.0 110.834 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.01 128.94 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.856 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 59.7 m -128.0 148.56 50.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.099 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -125.55 102.53 7.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 94.6 mt-10 -94.54 118.9 32.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.238 0.542 . . . . 0.0 111.23 -175.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.516 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -170.3 -127.19 0.92 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.3 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.425 ' OG1' ' HD2' ' A' ' 58' ' ' ARG . 12.0 p -140.68 141.33 35.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.726 0.298 . . . . 0.0 110.207 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.5 127.75 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.665 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.25 -56.56 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.605 ' HG ' ' HB2' ' A' ' 55' ' ' LYS . 59.6 p -99.63 111.94 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.404 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -76.93 88.87 3.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 110.916 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 59.9 tp -87.74 91.68 8.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.096 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.7 t -124.91 9.75 8.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.594 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.182 -177.309 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.607 0.242 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -128.14 176.97 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp 62.57 51.95 3.05 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.6 tt -95.3 140.04 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.336 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.37 91.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.0 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 24.2 mt -82.12 5.08 20.75 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -170.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.5 m -94.48 -3.26 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.4 150.89 31.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.838 -174.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -67.54 -22.02 65.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.751 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -64.29 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.606 174.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -84.9 2.03 44.54 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.129 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 8.05 84.01 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 m -78.07 146.11 35.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.075 0.464 . . . . 0.0 110.181 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.553 ' HA ' HD11 ' A' ' 31' ' ' ILE . 42.0 tt0 -146.19 142.4 28.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.252 -171.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -86.96 135.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.144 0.497 . . . . 0.0 110.619 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 HG22 ' HB ' ' A' ' 50' ' ' ILE . 13.1 tt -137.56 139.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.281 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 tt 61.99 84.4 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.353 0.597 . . . . 0.0 110.331 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.93 121.28 42.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -54.47 -52.5 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.536 -175.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -132.26 118.91 20.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.543 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -117.91 118.25 31.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.008 0.433 . . . . 0.0 110.186 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.207 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.25 -16.31 56.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.329 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -101.45 -15.05 17.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.43 0.634 . . . . 0.0 109.518 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -133.88 74.12 69.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.385 -0.825 . . . . 0.0 108.987 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 Cg_endo -83.71 135.5 6.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.046 2.498 . . . . 0.0 113.155 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 20.2 Cg_exo -66.77 -12.35 35.61 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.228 2.619 . . . . 0.0 111.705 177.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.49 -26.76 68.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.995 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.497 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 16.7 t-20 -64.88 -25.73 68.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.458 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.25 -42.26 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.469 -177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 14' ' ' GLU . 36.6 pt -91.72 -1.33 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.491 0.662 . . . . 0.0 110.401 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 29.6 t70 -87.46 -48.55 7.86 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.986 -176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.54 66.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.991 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -89.28 118.11 68.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 117.678 0.739 . . . . 0.0 110.385 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.18 2.95 3.28 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.999 2.466 . . . . 0.0 112.717 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.54 -23.65 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -132.68 166.59 21.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.324 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -153.07 151.19 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 140.36 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.667 HG21 ' HG2' ' A' ' 47' ' ' GLN . 80.4 p -78.17 116.35 18.56 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 45.8 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -171.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.51 33.77 46.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.31 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.7 tpt -113.31 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.588 0.232 . . . . 0.0 110.541 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.95 136.43 19.45 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.62 173.51 39.85 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.2 -1.583 . . . . 0.0 111.979 -2.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.686 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 0.7 OUTLIER -107.5 150.31 26.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -176.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -164.37 119.67 1.49 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.144 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 44.2 p90 -134.83 145.71 48.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.226 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.445 ' HB ' HG22 ' A' ' 16' ' ' ILE . 55.5 mt -114.57 128.63 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 -175.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.4 mt -110.49 113.59 44.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 17.9 p -98.88 137.75 36.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.492 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.48 ' C ' ' H ' ' A' ' 55' ' ' LYS . 79.9 m-85 -83.35 -14.03 53.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 70.76 -17.18 0.3 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.836 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 53' ' ' PHE . 25.8 pttm -136.77 161.98 34.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.695 ' HB3' ' HB2' ' A' ' 139' ' ' SER . 22.0 t-80 -82.74 105.71 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.36 169.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.536 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.4 120.7 37.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 91.6 mt -89.64 135.32 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.791 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -101.65 -35.73 9.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.787 0.327 . . . . 0.0 110.139 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -161.73 159.96 27.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.143 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.17 134.1 52.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.995 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.49 106.85 21.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 131' ' ' VAL . 26.5 mt -115.82 142.17 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.263 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -126.77 102.11 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -135.13 154.78 51.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 0.2 OUTLIER -129.32 140.44 51.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.921 0.391 . . . . 0.0 111.195 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 68.64 30.26 5.09 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.518 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.632 ' HB ' HD22 ' A' ' 93' ' ' LEU . 63.9 t -100.43 135.21 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 76.8 mt-30 -95.49 -85.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 110.313 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.3 m -97.83 115.63 28.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.073 -174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.72 109.32 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.654 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 48.2 tttp -92.0 129.68 37.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.639 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.52 HD11 HG13 ' A' ' 89' ' ' ILE . 45.0 mt -114.91 108.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.111 0.481 . . . . 0.0 111.238 -176.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.68 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.79 141.79 28.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.4 175.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.3 ptmm? -118.08 119.02 33.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.001 0.429 . . . . 0.0 110.296 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.994 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 71.1 m -101.79 131.63 47.99 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -107.41 10.79 29.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.301 0.572 . . . . 0.0 110.738 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 p -92.5 163.01 13.98 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.105 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 80' ' ' LYS . 30.9 mtmt -69.28 -30.3 68.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.525 0.679 . . . . 0.0 109.637 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.522 ' HB2' HG21 ' A' ' 83' ' ' VAL . 33.6 mt-10 -93.06 154.26 41.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.265 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.7 45.7 1.84 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.019 2.479 . . . . 0.0 112.057 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 81' ' ' GLU . 27.3 m -122.13 -162.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.08 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.2 t70 73.68 -74.78 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.784 0.677 . . . . 0.0 111.528 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.68 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 56.4 m-85 59.58 90.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.595 0.559 . . . . 0.0 111.583 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -82.24 125.27 30.75 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.25 107.74 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 9.4 t90 -102.3 -79.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -173.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.52 HG13 HD11 ' A' ' 74' ' ' ILE . 2.5 pt -140.27 143.68 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -175.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.454 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 56.1 mt-10 -124.82 119.61 29.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -115.43 140.16 49.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.072 0.463 . . . . 0.0 111.138 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 7.5 p-10 -110.6 119.91 40.7 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.053 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.632 HD22 ' HB ' ' A' ' 69' ' ' VAL . 7.6 mp -86.97 171.83 10.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.135 -173.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.14 154.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.883 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.5 100.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.432 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -90.36 117.74 29.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.491 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -102.08 100.9 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.352 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 38.81 86.0 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.377 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -137.12 141.2 42.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.51 0.195 . . . . 0.0 110.799 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.17 97.17 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -88.01 148.8 24.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.402 ' N ' HD21 ' A' ' 102' ' ' ASN . 0.9 OUTLIER -109.52 117.34 33.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.03 93.33 8.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.73 84.84 7.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.452 0.644 . . . . 0.0 109.5 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.7 mt -86.33 107.22 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.978 -174.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.9 t -76.86 95.31 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.31 0.576 . . . . 0.0 109.814 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.95 103.2 3.73 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.626 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.612 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.5 p80 -105.0 116.98 32.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.446 0.641 . . . . 0.0 111.734 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 161.86 35.68 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.961 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -91.51 141.66 28.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 117.086 0.443 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.06 159.09 35.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 p -115.68 -26.59 7.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.528 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.994 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 34.2 m-85 -130.43 133.32 46.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.177 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.8 120.89 41.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.639 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 68.9 ttt180 -106.49 110.79 23.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.228 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -97.63 106.62 18.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 65.3 mt -101.4 106.91 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.686 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 31.8 mt -89.14 101.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.2 t -76.64 -34.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -152.0 156.7 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.913 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.82 157.07 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -71.05 -28.12 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 110.204 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.36 -172.3 2.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -91.51 1.35 57.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.286 0.565 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.83 129.34 19.06 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.929 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -100.39 127.63 46.67 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 19.4 m -122.31 113.92 20.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.982 0.42 . . . . 0.0 110.836 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.2 p -87.62 135.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -104.29 -49.12 3.66 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.944 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -143.84 135.58 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 64' ' ' ILE . 25.8 m -133.47 137.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.5 m -147.74 132.9 18.33 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.01 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.4 110.24 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -94.3 112.81 24.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.183 0.516 . . . . 0.0 110.166 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -158.52 -136.64 2.1 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.308 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.6 p -139.31 146.39 40.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 m -79.1 137.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 41.3 t -116.21 -69.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.93 0.395 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.695 ' HB2' ' HB3' ' A' ' 56' ' ' HIS . 1.6 m -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.64 131.65 44.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.043 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.505 HD23 ' H ' ' A' ' 141' ' ' LEU . 2.4 pt? -121.63 -6.7 9.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 p -87.79 -0.41 56.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.741 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.455 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 89.3 mtt180 -93.98 147.53 23.03 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 2' ' ' ARG . 20.6 tptt 69.64 106.75 0.06 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.947 0.879 . . . . 0.0 109.454 -166.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 tt -150.33 145.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.454 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.73 91.38 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.529 0.68 . . . . 0.0 110.086 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.2 mt -73.87 -16.23 61.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.044 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.654 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 94.4 m -86.38 -3.67 59.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.83 145.73 53.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 t -67.34 -20.4 65.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 -19.99 65.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.097 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.22 -0.15 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.845 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.79 13.25 65.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.548 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 m -94.51 138.01 32.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 31' ' ' ILE . 36.9 mt-10 -133.64 167.12 21.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.217 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG13 HG12 ' A' ' 51' ' ' ILE . 18.7 m -102.55 155.69 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.754 0.312 . . . . 0.0 110.428 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.833 HG12 HD11 ' A' ' 17' ' ' LEU . 13.9 tt -144.23 155.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.833 HD11 HG12 ' A' ' 16' ' ' ILE . 8.4 mp 69.33 -94.7 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.465 0.706 . . . . 0.0 110.941 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.98 116.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.867 0.729 . . . . 0.0 111.828 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.7 p -80.33 18.66 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.724 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 32.3 t -164.49 133.71 3.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 110.389 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 m -153.09 113.46 4.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.01 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.15 148.76 21.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.5 -29.45 70.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 111.391 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -105.19 -30.32 9.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.596 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -115.21 81.12 7.82 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.005 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -93.14 166.87 2.44 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.124 2.549 . . . . 0.0 112.434 -175.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.38 -9.82 11.8 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.128 2.552 . . . . 0.0 113.265 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.93 -36.93 60.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.933 0.397 . . . . 0.0 110.641 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.06 2.01 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.034 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.7 mt -79.48 -34.37 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.624 HG13 ' H ' ' A' ' 32' ' ' ASP . 11.4 pt -109.25 -104.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.897 175.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.624 ' H ' HG13 ' A' ' 31' ' ' ILE . 47.2 t0 69.09 -53.85 0.58 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.503 0.721 . . . . 0.0 112.18 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.48 13.3 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -172.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 75.3 m-20 -126.89 112.56 22.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.367 . . . . 0.0 110.773 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 2.7 Cg_endo -82.74 19.71 1.26 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.685 2.923 . . . . 0.0 112.382 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.77 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.814 HG23 ' H ' ' A' ' 38' ' ' PHE . 1.4 m -91.46 -169.39 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.34 -170.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.814 ' H ' HG23 ' A' ' 37' ' ' THR . 43.0 p90 -153.49 157.86 40.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.666 ' HE3' HG13 ' A' ' 128' ' ' VAL . 66.8 t90 -110.53 137.54 48.08 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -121.99 148.43 44.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.016 0.436 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.65 HG21 ' HB3' ' A' ' 47' ' ' GLN . 3.0 m -91.97 159.58 15.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.773 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 p -76.75 1.75 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.86 12.63 68.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.784 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 70.1 mtm -92.27 101.61 14.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.649 -0.324 . . . . 0.0 110.571 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -78.67 141.5 60.23 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.62 151.17 88.53 Favored 'Cis proline' 0 C--N 1.344 0.322 0 C-N-CA 123.579 -1.425 . . . . 0.0 111.887 -3.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.65 ' HB3' HG21 ' A' ' 41' ' ' THR . 33.7 mt-30 -106.91 115.6 30.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.89 152.7 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.487 0.661 . . . . 0.0 112.608 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -157.15 155.01 30.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.015 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.766 HG12 ' HG3' ' A' ' 115' ' ' ARG . 49.3 mt -120.49 141.71 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.447 HG12 HG13 ' A' ' 15' ' ' VAL . 46.8 mt -113.56 126.72 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 9.3 p -107.59 122.71 47.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.1 m-85 -81.06 -18.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.713 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 67.0 9.04 6.59 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.995 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HG3' HG12 ' A' ' 57' ' ' VAL . 48.6 pttt -158.89 157.42 31.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.996 -176.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -85.52 105.64 16.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG12 ' HG3' ' A' ' 55' ' ' LYS . 17.9 m -112.55 162.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.109 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 38.7 ttm180 -105.5 112.75 25.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.768 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 HG21 ' HH2' ' A' ' 88' ' ' TRP . 87.3 mt -93.76 126.8 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.755 0.312 . . . . 0.0 110.924 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -107.88 -28.86 9.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.823 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.624 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 50.4 mtm180 -149.85 150.87 32.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.712 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.0 mp -120.36 107.57 13.09 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 132' ' ' SER . 61.8 t -90.72 101.07 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mt -111.84 132.78 59.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.34 0.59 . . . . 0.0 111.335 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' A' ' 130' ' ' SER . 51.5 mt-30 -113.98 102.29 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.037 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -144.29 155.1 43.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.923 0.392 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -116.03 152.33 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.964 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.452 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 45.4 m-85 75.99 -31.46 0.2 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.09 0.869 . . . . 0.0 113.198 169.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 118' ' ' ILE . 58.7 t -53.09 135.72 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 122.685 0.394 . . . . 0.0 112.006 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 52.9 tt0 -115.91 -78.25 0.58 Allowed 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 175.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -90.45 101.31 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.365 0.602 . . . . 0.0 111.237 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.6 tp -108.68 110.15 21.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.468 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.49 ' HZ3' ' CD ' ' A' ' 75' ' ' GLU . 12.3 tttt -96.37 115.84 28.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.74 HD13 HG13 ' A' ' 89' ' ' ILE . 22.6 mt -96.85 111.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.441 . . . . 0.0 110.876 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.707 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 1.4 tp10 -95.94 150.74 20.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.741 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.2 ptmm? -127.13 140.16 52.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.086 0.47 . . . . 0.0 110.754 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.764 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 63.1 m -127.17 137.0 52.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.97 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 p -114.96 15.29 17.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.414 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 t -94.12 178.7 5.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.445 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -80.62 -20.92 42.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.652 0.739 . . . . 0.0 109.557 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.663 ' HB2' HG21 ' A' ' 83' ' ' VAL . 37.7 mt-10 -107.62 160.85 25.16 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.648 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.24 35.54 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.068 2.512 . . . . 0.0 112.144 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.663 HG21 ' HB2' ' A' ' 81' ' ' GLU . 35.3 m -122.42 -179.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.349 -177.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t0 61.14 93.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.034 0.834 . . . . 0.0 109.843 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 47.8 m-85 -98.13 118.04 33.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.774 -168.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.741 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.419 ' OE1' ' HE2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.49 119.14 19.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.403 ' HH2' HG21 ' A' ' 59' ' ' ILE . 6.6 t90 -102.94 -83.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.865 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.74 HG13 HD13 ' A' ' 74' ' ' ILE . 8.8 pt -145.85 133.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.327 . . . . 0.0 111.624 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.5 133.8 52.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -131.11 144.91 51.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.049 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.3 p-10 -98.85 108.05 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.774 0.797 . . . . 0.0 108.957 171.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 tt -80.4 117.8 21.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.818 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.26 109.54 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -65.94 125.52 25.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.19 0.519 . . . . 0.0 111.178 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.533 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 16.6 p -81.01 117.81 21.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.964 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.7 116.26 16.23 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 120.863 0.364 . . . . 0.0 110.334 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.01 -22.88 8.62 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 119.986 -1.102 . . . . 0.0 112.965 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.533 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 48.3 mt-30 -100.23 139.47 35.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.821 0.343 . . . . 0.0 111.479 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.86 117.82 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -119.04 155.86 30.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.907 0.384 . . . . 0.0 110.968 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.83 104.99 14.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 171.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.33 120.17 32.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.626 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -92.8 103.14 15.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.96 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 68.4 mt -79.94 102.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 176.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -75.12 110.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.332 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.0 136.15 11.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.375 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -98.98 122.4 42.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 150.5 17.37 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.871 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 m -111.78 129.9 55.98 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.5 156.77 38.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.57 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -105.71 -24.74 12.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.128 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.764 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 66.0 m-85 -129.87 135.24 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.108 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.517 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 64.9 mt -114.75 121.4 43.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.766 ' HG3' HG12 ' A' ' 50' ' ' ILE . 31.0 ttt-85 -106.75 100.29 9.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.329 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.84 109.56 18.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.5 mt -107.1 100.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.444 HG21 HG12 ' A' ' 69' ' ' VAL . 49.1 mt -83.78 101.45 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.3 -48.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.765 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.5 m -150.28 167.5 26.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 68' ' ' PHE . . . -148.24 168.61 22.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -75.62 -18.27 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.466 0.65 . . . . 0.0 109.721 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.36 -174.72 2.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -105.79 -17.19 14.45 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.48 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.85 126.96 55.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.679 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.48 127.83 53.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.9 t -127.73 127.44 43.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.666 HG13 ' HE3' ' A' ' 39' ' ' TRP . 14.1 p -101.97 137.72 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.192 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.56 -49.94 5.42 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.44 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . 19.9 m -160.04 145.33 15.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.13 149.67 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.654 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 30.6 t -150.77 152.1 33.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -126.59 125.09 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.624 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 41.0 mt-10 -99.97 133.16 44.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.049 0.452 . . . . 0.0 110.446 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.33 -145.7 10.05 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.5 p -138.57 152.74 48.44 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.03 0.443 . . . . 0.0 110.988 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.57 118.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.969 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.2 t -86.9 -52.4 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.89 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p -106.72 122.37 46.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.084 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -98.56 108.8 21.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.78 98.83 7.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.365 0.603 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.8 m -154.73 -47.48 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.91 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.978 173.47 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.525 ' HA ' HG21 ' A' ' 136' ' ' THR . 29.2 ptt180 -81.87 148.34 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 62.51 47.74 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.398 0.618 . . . . 0.0 109.971 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 tt -95.16 142.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.908 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.38 91.43 2.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 HD22 HG11 ' A' ' 57' ' ' VAL . 20.0 mt -82.63 10.75 6.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.661 -172.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 34.6 t -94.53 -3.57 49.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.693 0.282 . . . . 0.0 111.686 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 74.0 mt -87.18 149.9 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.281 0.562 . . . . 0.0 112.181 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 31' ' ' ILE . 8.5 p -67.51 -24.3 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.7 m -69.21 -18.05 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.51 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 59.3 mm-40 -89.8 -8.28 52.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.006 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.92 61.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.169 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -72.55 139.3 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 110.776 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -128.36 128.6 44.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.61 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.92 118.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.352 0.596 . . . . 0.0 110.087 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.593 HG23 ' HB ' ' A' ' 50' ' ' ILE . 11.2 tt -114.55 147.1 18.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.018 -174.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt 75.76 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.933 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.46 90.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.722 0.639 . . . . 0.0 111.91 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.157 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -114.87 135.83 53.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.022 0.439 . . . . 0.0 110.732 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.7 m -158.36 157.02 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.021 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 26.4 t70 -119.15 151.07 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -64.24 -41.53 96.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 -177.436 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 3.0 mptp? -97.83 -3.38 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 0.0 111.05 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.5 m80 -134.49 73.32 68.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -88.6 145.63 5.79 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.795 2.33 . . . . 0.0 113.106 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HA ' HG13 ' A' ' 30' ' ' ILE . 28.0 Cg_endo -65.46 -12.48 35.17 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.549 2.166 . . . . 0.0 111.312 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -60.63 -26.76 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.459 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 6.2 m-20 -93.02 2.04 56.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.776 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.469 HG13 ' HA ' ' A' ' 27' ' ' PRO . 57.3 mt -71.29 -40.39 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 9' ' ' SER . 19.0 pt -78.3 -12.77 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.275 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 18.6 t70 -70.15 -56.27 7.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.19 176.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.17 0.31 65.77 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.867 -0.682 . . . . 0.0 114.103 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -88.76 143.25 31.46 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 117.652 0.726 . . . . 0.0 110.762 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.03 18.83 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.601 2.867 . . . . 0.0 113.543 -175.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -72.45 -55.33 7.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.141 0.496 . . . . 0.0 110.922 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.3 p -131.81 122.8 26.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.786 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -103.34 164.33 11.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.616 ' HE3' HG11 ' A' ' 128' ' ' VAL . 90.7 t90 -87.6 129.66 35.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 0.0 110.855 -177.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -132.65 149.2 52.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.912 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -88.51 161.57 16.91 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.24 0.543 . . . . 0.0 111.371 -174.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -6.7 59.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.014 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.49 27.14 7.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.307 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 ttp -110.44 107.32 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.799 0.333 . . . . 0.0 110.733 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -107.19 146.0 32.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.237 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.42 155.3 81.61 Favored 'Cis proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.67 -1.388 . . . . 0.0 111.933 -1.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.475 HE21 HD12 ' A' ' 118' ' ' ILE . 12.1 pt20 -121.29 152.29 39.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.4 147.9 22.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.48 142.67 29.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.633 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.593 ' HB ' HG23 ' A' ' 16' ' ' ILE . 54.7 mt -111.12 135.0 51.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.667 0.27 . . . . 0.0 110.328 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.4 mt -112.79 118.71 58.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.989 0.424 . . . . 0.0 110.157 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 m -93.2 128.66 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.08 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -77.1 -26.67 53.59 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.187 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 69.04 1.02 3.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.793 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' HG12 ' A' ' 57' ' ' VAL . 51.5 pttt -150.08 -175.65 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -104.04 105.6 15.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.989 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 6' ' ' LEU . 12.0 m -128.61 169.9 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 0.0 110.895 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 9.2 ptm85 -130.39 137.84 50.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.242 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.6 mt -101.08 133.6 43.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.44 -37.53 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.442 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.678 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 54.8 ttp180 -151.64 150.93 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.147 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.4 129.98 52.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 51.5 t -91.14 102.25 13.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mm -107.68 111.63 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.312 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -122.64 102.15 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.113 0.482 . . . . 0.0 109.818 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.4 p -150.44 -177.4 5.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 100' ' ' LEU . 8.6 m-85 -141.13 157.02 45.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.321 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 76.58 -23.93 0.23 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 167.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG13 HG22 ' A' ' 118' ' ' ILE . 61.2 t -59.53 135.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -176.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 71.8 mt-30 -95.17 -81.39 0.4 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.235 0.54 . . . . 0.0 109.6 171.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -98.66 109.73 22.44 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.59 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 ' HD2' ' A' ' 116' ' ' PHE . 27.2 tp -104.44 111.85 24.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.184 177.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 22.2 mtpp -89.69 110.12 21.04 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.546 HD13 HG13 ' A' ' 89' ' ' ILE . 31.5 mt -100.5 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 136.27 36.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.113 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.593 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.8 ptmm? -106.91 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.472 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.755 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 48.4 t -111.55 144.22 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.481 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 3.8 m -132.47 23.22 4.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.901 0.858 . . . . 0.0 109.002 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.44 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 13.3 m -82.78 -178.24 7.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.121 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -85.58 -29.1 24.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' OE1' ' HB3' ' A' ' 79' ' ' SER . 1.2 pm0 -99.18 159.81 29.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.931 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -79.05 32.91 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.0 2.467 . . . . 0.0 113.32 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 27.5 m -135.81 -173.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.159 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.31 73.75 0.46 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.633 0.583 . . . . 0.0 110.416 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 77' ' ' SER . 0.2 OUTLIER -123.13 161.82 23.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.451 -174.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.35 148.6 27.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.996 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' NE2' ' HB2' ' A' ' 90' ' ' GLU . 35.5 tp60 -64.23 99.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.593 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 11.1 t90 -87.36 -82.45 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.321 -176.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.546 HG13 HD13 ' A' ' 74' ' ' ILE . 8.5 pt -133.28 108.74 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.695 0.759 . . . . 0.0 111.137 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.495 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . 27.6 tt0 -89.13 96.74 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -100.34 114.65 28.33 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.044 -169.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.3 p-10 -97.05 143.61 27.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 171.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -126.1 169.98 12.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.754 0.311 . . . . 0.0 110.468 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.16 132.7 56.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -69.41 138.98 54.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.697 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 10.3 p -117.32 138.47 51.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.14 0.495 . . . . 0.0 111.888 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 118.34 36.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.769 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.63 30.84 63.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.875 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.697 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 41.6 tt0 -152.02 125.17 8.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.723 0.296 . . . . 0.0 110.267 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -86.46 123.18 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.15 91.47 7.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 111.627 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.13 95.01 7.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -103.04 106.47 17.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.678 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 9.8 pt-20 -85.81 99.02 11.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.882 0.849 . . . . 0.0 110.026 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mm -80.17 113.14 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.703 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 p -83.25 87.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.023 0.916 . . . . 0.0 110.046 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.0 117.32 25.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.208 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.32 107.88 19.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.13 167.29 39.73 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.3 m -111.18 143.06 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.43 153.24 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 12.5 p -111.92 -27.44 8.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.789 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.755 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 96.9 m-85 -131.55 126.38 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.948 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 54.5 mt -114.78 124.27 51.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.496 ' HG3' HG12 ' A' ' 50' ' ' ILE . 66.7 ttt180 -106.52 105.57 15.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.451 ' HD2' HD13 ' A' ' 72' ' ' LEU . 42.3 m-85 -89.11 106.66 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 49.5 mt -107.97 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.017 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.696 HG22 HG13 ' A' ' 69' ' ' VAL . 49.6 mt -88.7 96.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.51 -51.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -133.17 154.33 50.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.693 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.95 158.74 43.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.082 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.0 -6.94 54.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.064 0.459 . . . . 0.0 110.237 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -135.5 177.3 7.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -84.27 -21.81 30.96 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -110.72 122.38 47.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.286 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.82 108.77 17.88 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.6 p -112.3 133.92 54.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.672 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.616 HG11 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -103.59 133.81 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -97.32 -47.29 5.77 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.241 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.8 p -157.35 132.09 8.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 0.0 111.317 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 17.5 m -133.3 146.3 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.472 173.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 44.0 m -150.67 139.71 21.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.231 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.49 112.21 25.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -97.03 115.57 27.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.372 0.606 . . . . 0.0 110.672 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -160.05 -143.67 3.74 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.161 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 2' ' ' ARG . 24.5 p -136.67 145.38 44.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.816 0.341 . . . . 0.0 110.658 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.59 99.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.41 -45.94 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.241 0.543 . . . . 0.0 109.706 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 p -154.17 133.21 12.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -77.48 -100.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.837 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 41.5 tp -168.52 136.37 2.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -173.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 p -65.74 95.79 0.26 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.387 0.613 . . . . 0.0 110.898 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.282 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.614 0.245 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.701 ' HA ' HG21 ' A' ' 136' ' ' THR . 3.7 ptm180 -93.19 28.51 2.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.438 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -152.17 92.58 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -142.15 141.74 28.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.142 -173.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.41 86.17 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.451 HD12 ' HB ' ' A' ' 57' ' ' VAL . 90.9 mt -71.94 -7.19 47.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -170.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.731 ' O ' HG21 ' A' ' 31' ' ' ILE . 73.7 m -93.82 -4.14 50.69 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 38.7 mt -69.52 148.83 48.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.959 0.409 . . . . 0.0 111.632 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -69.69 -20.78 63.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -71.74 -20.79 61.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 54.2 mm-40 -93.57 10.84 30.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.051 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.73 15.9 78.48 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.218 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -85.44 141.86 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.056 0.428 . . . . 0.0 110.118 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.35 153.71 48.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.045 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG13 HG12 ' A' ' 51' ' ' ILE . 28.5 m -106.95 145.21 14.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 17' ' ' LEU . 15.8 tt -131.59 156.42 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.931 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD11 HG12 ' A' ' 16' ' ' ILE . 10.1 mp 74.02 -90.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.64 0.776 . . . . 0.0 110.344 -174.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.09 93.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.847 0.717 . . . . 0.0 111.921 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.502 ' HB ' ' NE2' ' A' ' 47' ' ' GLN . 4.3 m -58.29 -20.4 42.46 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.497 ' HB3' HG23 ' A' ' 42' ' ' THR . 45.9 m -124.42 129.71 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.414 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -153.26 133.29 13.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.502 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 16.1 t70 -116.63 156.11 27.61 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -80.18 -38.45 31.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.978 0.418 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HZ1' ' HB2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -82.17 -29.76 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 m-70 -111.08 83.58 3.89 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 174.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.742 ' HD2' HG21 ' A' ' 37' ' ' THR . 89.9 Cg_endo -80.1 147.95 18.97 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.403 2.069 . . . . 0.0 112.713 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.79 5.66 1.27 Allowed 'Trans proline' 0 C--O 1.223 -0.263 0 C-N-CA 123.435 2.757 . . . . 0.0 112.725 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.48 -25.64 30.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.05 0.453 . . . . 0.0 110.584 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.441 HD21 ' HB ' ' A' ' 37' ' ' THR . 58.3 m-20 -85.09 -17.5 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 tt -73.03 -31.82 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.433 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.731 HG21 ' O ' ' A' ' 7' ' ' CYS . 1.1 mt -63.47 -40.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.468 0.651 . . . . 0.0 110.217 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 -20.8 19.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.137 -174.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.25 50.75 6.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.084 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -86.38 119.84 71.78 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.536 0.208 . . . . 0.0 110.878 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.63 -20.22 56.8 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.19 2.594 . . . . 0.0 112.85 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.71 -32.53 74.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.742 HG21 ' HD2' ' A' ' 26' ' ' PRO . 98.2 m -141.42 115.34 9.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.208 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -97.76 142.79 29.1 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -99.9 139.73 35.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.7 ' HG1' ' HB2' ' A' ' 125' ' ' PHE . 14.8 t -147.08 165.59 29.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.569 ' OG1' ' HA ' ' A' ' 125' ' ' PHE . 55.5 p -76.46 142.5 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.698 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.497 HG23 ' HB3' ' A' ' 20' ' ' SER . 11.8 p -82.94 2.24 35.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 0.0 111.364 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.92 -16.51 18.3 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.92 -0.657 . . . . 0.0 113.18 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -87.97 105.01 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 111.43 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 93.3 m-85 -106.92 148.85 37.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.163 175.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 17.3 Cg_exo -68.03 155.7 87.7 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.889 -1.296 . . . . 0.0 112.886 -0.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' HB3' ' HB ' ' A' ' 118' ' ' ILE . 48.3 tp60 -107.02 127.76 53.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.194 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.11 129.36 56.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -148.27 127.92 13.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.474 . . . . 0.0 110.018 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.435 ' HB ' HG21 ' A' ' 16' ' ' ILE . 51.6 mt -106.78 127.71 62.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.59 HG12 HG13 ' A' ' 15' ' ' VAL . 53.3 mt -105.79 119.83 55.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.0 t -94.46 127.24 40.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.561 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 84.1 m-85 -67.08 -24.53 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.535 ' O ' ' HB3' ' A' ' 141' ' ' LEU . 26.7 t-80 64.29 21.96 12.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.421 0.629 . . . . 0.0 109.902 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 20.0 pttm -168.19 176.7 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.666 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.725 ' HB2' ' HB3' ' A' ' 139' ' ' SER . 54.2 m80 -105.07 109.42 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.6 HG13 HG12 ' A' ' 137' ' ' VAL . 17.5 m -128.32 164.34 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.877 0.37 . . . . 0.0 111.519 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -123.5 124.07 42.03 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 75.4 mt -90.12 138.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.109 -172.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -103.08 -49.9 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.972 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 28.6 mtm180 -141.73 157.31 45.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 0.0 110.823 176.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 84.8 mt -109.99 133.05 53.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.033 174.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.544 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 99.0 t -114.24 105.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.619 HG23 HG12 ' A' ' 131' ' ' VAL . 10.7 mt -118.07 114.56 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.793 -175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -100.82 102.25 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.592 ' HB2' HG22 ' A' ' 69' ' ' VAL . 25.5 p -130.89 142.45 50.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.718 0.294 . . . . 0.0 110.964 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -110.53 141.88 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.844 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 67.39 -99.64 0.05 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.78 0.675 . . . . 0.0 110.748 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.794 HG13 ' H ' ' A' ' 70' ' ' GLN . 2.5 t 48.95 -151.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.575 0.547 . . . . 0.0 109.754 -176.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.794 ' H ' HG13 ' A' ' 69' ' ' VAL . 10.1 tt0 172.68 -73.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 109.397 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -116.39 104.58 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.995 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 tp -110.36 114.53 28.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.535 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 64.8 tttp -94.08 111.37 23.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.4 mt -93.17 102.75 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -102.85 136.73 42.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.594 ' HG3' ' HB3' ' A' ' 86' ' ' GLU . 17.2 ptmt -106.65 150.91 25.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.419 -173.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.551 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 35.1 t -143.01 145.16 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.7 p -120.57 19.93 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.1 m -90.61 170.45 10.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.449 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -88.94 -24.89 22.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' ' 83' ' ' VAL . 1.4 mp0 -91.86 156.03 42.89 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.79 36.89 0.54 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.561 2.174 . . . . 0.0 112.394 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 81' ' ' GLU . 35.5 m -132.08 170.77 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 65.31 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.587 0.755 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -114.04 162.4 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.197 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 34.0 tt0 -141.54 135.79 30.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.026 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.14 134.29 52.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.404 ' CZ2' ' HB3' ' A' ' 107' ' ' ALA . 7.4 t90 -130.98 -74.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -139.85 108.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.68 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' OE2' ' HG3' ' A' ' 73' ' ' LYS . 7.5 mp0 -97.53 118.41 33.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 170.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -108.67 113.06 25.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.045 0.45 . . . . 0.0 111.227 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.99 104.51 14.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.4 159.46 15.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 112.246 -170.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.93 137.19 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.656 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -61.84 105.46 0.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.324 0.39 . . . . 0.0 111.643 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.557 HG22 ' HB2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -77.81 125.09 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.642 171.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.32 119.72 39.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.611 -173.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.47 27.73 72.83 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.773 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -149.39 135.24 18.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.544 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.24 100.09 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.309 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.557 ' HB2' HG22 ' A' ' 96' ' ' THR . 54.6 tt0 -86.12 108.52 18.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.768 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.48 128.6 34.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.884 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.29 94.96 9.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.135 0.493 . . . . 0.0 110.616 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 42.9 mt-10 -88.24 97.04 10.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.027 172.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -100.62 120.97 50.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.65 -171.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 m -73.03 104.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 88' ' ' TRP . . . -137.86 103.3 4.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.492 -170.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 m-70 -98.99 110.18 22.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.147 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.24 157.24 29.56 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.417 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -107.87 132.9 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.04 154.82 31.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.992 0.425 . . . . 0.0 111.216 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.3 p -110.27 -37.26 5.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.987 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 87.7 m-85 -122.4 134.2 54.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.99 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 76' ' ' LYS . 57.6 mt -120.39 124.96 46.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 172.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.16 105.88 16.12 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -83.64 107.4 16.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.473 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.3 mt -101.12 102.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.96 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 39.8 mt -82.04 94.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.764 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 7.7 t -157.34 157.21 33.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.079 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.45 159.19 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.069 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -70.62 -21.15 62.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.252 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -130.84 -172.36 2.8 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -84.96 -26.09 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.7 ' HB2' ' HG1' ' A' ' 40' ' ' THR . 45.3 p90 -118.78 122.38 42.28 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.47 0.653 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.51 110.77 22.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.126 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.7 m -104.89 120.34 41.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.071 0.462 . . . . 0.0 110.914 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -103.97 128.14 57.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.18 -44.88 13.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.328 -173.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.4 p -161.4 148.84 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.177 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.619 HG12 HG23 ' A' ' 64' ' ' ILE . 10.6 m -131.1 134.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.639 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.544 ' OG ' ' HB ' ' A' ' 63' ' ' VAL . 62.1 p -141.39 137.69 32.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.919 0.39 . . . . 0.0 111.364 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.42 102.98 12.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 58.0 mt-10 -94.22 125.36 38.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.271 0.558 . . . . 0.0 110.654 -173.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.78 -126.46 1.01 Allowed Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.749 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.701 HG21 ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -146.53 149.73 34.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.912 0.387 . . . . 0.0 111.927 -178.137 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.6 HG12 HG13 ' A' ' 57' ' ' VAL . 29.7 m -88.52 146.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.84 -32.74 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.648 0.737 . . . . 0.0 109.575 175.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' ' 56' ' ' HIS . 5.3 t -157.31 135.52 11.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.503 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -115.25 128.07 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.946 0.403 . . . . 0.0 111.205 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 45.5 tp -104.96 7.45 34.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.719 0.771 . . . . 0.0 109.227 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.6 m -97.67 15.76 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.046 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.241 -179.43 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.776 0.322 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.954 ' HA ' HG23 ' A' ' 136' ' ' THR . 51.9 mtp180 -142.77 -26.58 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.385 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.45 79.13 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.473 0.654 . . . . 0.0 109.489 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.469 HG21 ' O ' ' A' ' 135' ' ' GLY . 9.6 tt -113.45 141.55 28.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.085 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' HB3' ' HG ' ' A' ' 8' ' ' LEU . 6.9 m-20 -70.78 95.86 1.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.396 0.617 . . . . 0.0 110.436 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 22.1 mt -75.27 -15.01 60.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.521 -168.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 79.8 m -94.12 -3.35 51.21 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.977 -0.452 . . . . 0.0 112.217 -174.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 5' ' ' ASP . 16.9 mt -77.02 158.99 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -62.38 -29.03 70.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.108 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 p -66.03 -26.28 67.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.113 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.83 -0.7 57.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.29 9.21 85.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.19 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 118.95 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 110.293 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -103.48 153.23 20.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.044 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.595 HG11 HG12 ' A' ' 51' ' ' ILE . 34.6 m -92.22 149.47 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.04 0.448 . . . . 0.0 110.56 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.57 HG22 ' HB ' ' A' ' 50' ' ' ILE . 14.9 tt -139.7 152.78 22.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 3.4 tt 73.67 -88.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.751 0.821 . . . . 0.0 110.142 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 56.18 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.716 0.635 . . . . 0.0 111.773 -178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.949 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -107.57 109.61 21.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.21 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 p -128.27 103.46 7.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.438 0.637 . . . . 0.0 110.653 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -92.48 150.44 20.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.043 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.72 -25.42 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.284 0.564 . . . . 0.0 110.045 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -91.82 -17.01 25.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.201 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -138.76 72.44 41.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.436 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.45 ' HD2' ' ND2' ' A' ' 29' ' ' ASN . 46.9 Cg_endo -70.87 149.33 59.63 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.109 1.873 . . . . 0.0 112.003 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 35.3 Cg_exo -61.81 -13.27 29.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.134 2.556 . . . . 0.0 112.221 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -63.26 -21.93 66.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' ND2' ' HD2' ' A' ' 26' ' ' PRO . 93.5 m-20 -76.13 -12.08 60.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.565 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.638 ' O ' ' HA ' ' A' ' 130' ' ' SER . 56.0 mt -70.13 -23.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.721 0.772 . . . . 0.0 109.442 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -111.93 -106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.608 172.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 71.93 -51.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.301 0.64 . . . . 0.0 112.58 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.39 -25.83 18.52 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.781 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.87 142.36 41.94 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 117.541 0.671 . . . . 0.0 111.179 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.65 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 88.1 Cg_endo -85.5 8.2 4.7 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.881 2.387 . . . . 0.0 112.898 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -90.42 -65.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.839 -175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -91.38 145.58 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.633 0.254 . . . . 0.0 111.025 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -138.62 177.67 7.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.669 ' HE3' HG13 ' A' ' 128' ' ' VAL . 87.2 t90 -110.51 136.24 49.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.618 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.9 t -137.16 145.31 43.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.2 m -88.66 135.93 33.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.569 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -81.62 39.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.042 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 10.99 82.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.728 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -83.92 88.18 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -106.59 133.7 20.14 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.415 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_endo -86.39 153.18 48.52 Favored 'Cis proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.502 -1.457 . . . . 0.0 112.056 -1.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 1.6 pm0 -107.02 138.21 43.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.094 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -129.57 129.57 44.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.45 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -144.64 145.6 31.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.007 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' A' ' 16' ' ' ILE . 52.1 mt -119.67 137.08 54.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.19 -176.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.595 HG12 HG11 ' A' ' 15' ' ' VAL . 57.0 mt -115.65 122.11 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 p -100.03 126.88 46.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.87 -25.35 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.47 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.3 t60 69.0 14.03 8.82 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.502 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HD2' ' HA ' ' A' ' 140' ' ' ASN . 51.2 pttt -163.67 -175.33 4.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.116 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 28.6 m170 -96.32 116.64 29.36 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.713 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 166.6 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HG3' ' CG2' ' A' ' 138' ' ' VAL . 98.5 mtt180 -127.48 124.42 38.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.188 171.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 72.7 mt -89.72 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.882 -177.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 108' ' ' HIS . 5.8 tp10 -119.89 -38.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.485 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 27.3 mtp-105 -144.05 170.98 14.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.878 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 95.9 mt -130.39 134.08 46.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.833 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -123.02 104.65 14.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.746 HG23 HG11 ' A' ' 131' ' ' VAL . 16.9 mt -119.46 135.98 58.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.92 0.39 . . . . 0.0 111.405 -172.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.04 102.88 10.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.487 ' HB2' HD23 ' A' ' 93' ' ' LEU . 17.8 m -131.84 166.52 21.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.767 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 17.9 m-85 -122.22 140.45 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 174.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 65.7 -99.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.392 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.6 t 48.34 93.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 123.747 0.654 . . . . 0.0 112.684 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -85.25 -47.83 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 110.072 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.515 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -130.27 105.93 8.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.253 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 tp -109.34 109.71 20.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.405 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 84.5 tttt -89.9 107.97 19.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.522 ' HB ' HG13 ' A' ' 89' ' ' ILE . 57.8 mt -92.52 100.33 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 19.2 tt0 -96.01 136.92 35.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.568 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 18.6 ttmt -106.62 135.57 47.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.704 -173.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.709 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 46.4 m -131.37 126.62 35.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.74 18.67 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 0.0 110.32 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -83.09 179.4 7.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.221 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.657 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 13.4 ptmm? -76.41 -24.58 54.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.636 0.731 . . . . 0.0 109.831 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.657 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 42.6 mt-10 -119.23 171.4 5.43 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.642 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.22 45.35 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.051 2.5 . . . . 0.0 112.455 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.57 -173.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.874 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.41 88.83 0.1 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.507 0.67 . . . . 0.0 109.374 -174.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.459 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 40.2 m-85 -109.09 112.23 24.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.703 -170.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.79 141.91 49.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -77.3 101.26 6.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.615 0.721 . . . . 0.0 109.534 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 10.6 t90 -75.31 -60.8 2.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.128 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' ' 74' ' ' ILE . 1.5 pt -149.09 103.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.193 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.04 97.08 8.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -100.6 175.03 5.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.739 0.781 . . . . 0.0 112.174 -172.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -140.22 122.46 15.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.256 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 66' ' ' SER . 52.3 tp -91.28 106.28 18.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.13 0.491 . . . . 0.0 110.329 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -81.38 98.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -70.91 121.07 17.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -174.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -71.39 136.95 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.307 175.233 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.64 116.31 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.343 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.67 24.02 70.95 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.37 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.708 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 44.7 tt0 -140.5 146.99 38.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 1.7 tt -84.0 115.39 22.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -87.73 102.68 14.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.844 0.354 . . . . 0.0 110.116 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.42 130.37 42.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.586 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 53.1 tt0 -92.2 93.57 8.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.766 0.793 . . . . 0.0 109.756 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.37 108.93 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.181 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.878 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 60.9 mt -121.65 135.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.601 -176.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.02 89.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.53 111.59 13.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.875 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.558 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.1 p80 -121.28 114.4 21.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.0 111.531 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.14 169.1 40.78 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.008 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m -94.28 129.7 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.175 0.488 . . . . 0.0 110.155 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.37 151.61 31.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.722 0.296 . . . . 0.0 110.614 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -108.49 -35.65 6.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.48 0.657 . . . . 0.0 110.049 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.709 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 70.2 m-85 -124.28 137.58 54.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.793 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.47 116.99 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -106.78 103.74 13.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.71 117.54 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.525 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.6 mt -116.79 108.14 24.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.8 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.505 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 42.7 mt -89.59 118.16 34.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 58.4 t -81.05 -46.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.9 t -160.2 164.63 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.88 178.88 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.16 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -85.47 -5.65 59.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 110.415 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.62 176.02 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -78.9 -7.51 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.97 158.17 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.6 135.2 34.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.592 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -133.67 143.11 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.024 0.44 . . . . 0.0 111.433 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.669 HG13 ' HE3' ' A' ' 39' ' ' TRP . 12.7 p -134.19 137.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 11.3 t-80 -91.25 -65.03 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.231 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.638 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 44.0 m -149.3 138.56 21.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 64' ' ' ILE . 35.8 m -110.74 141.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.086 172.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.611 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 39.4 m -144.29 150.92 38.63 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -128.13 139.03 52.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 45.6 mt-10 -94.18 156.24 16.65 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.469 ' O ' HG21 ' A' ' 4' ' ' ILE . . . 150.28 -154.97 25.98 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.634 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.954 HG23 ' HA ' ' A' ' 2' ' ' ARG . 34.2 p -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.668 0.27 . . . . 0.0 110.439 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.44 114.96 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.344 0.593 . . . . 0.0 110.418 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 43.6 t -72.86 -41.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.796 0.808 . . . . 0.0 109.514 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 5.2 m -145.81 102.22 3.64 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.026 176.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.567 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 10.0 t-20 -68.77 -177.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 84.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.37 0.605 . . . . 0.0 109.931 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.9 m -145.82 18.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.775 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.352 -0.832 . . . . 0.0 109.724 178.562 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 25.2 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.465 0.174 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 56.55 31.88 19.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.237 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HB3' ' HE2' ' A' ' 1' ' ' MET . 40.8 tttm -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -155.47 137.63 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.104 -175.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 2.0 m-20 -64.95 96.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.467 178.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB ' ' A' ' 57' ' ' VAL . 95.3 mt -80.85 -4.28 54.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.568 ' O ' HD11 ' A' ' 31' ' ' ILE . 75.6 m -90.47 -3.8 57.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.736 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 50.5 mt -58.2 140.41 53.09 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.176 0.512 . . . . 0.0 111.563 -176.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -18.32 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.843 174.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -80.76 -10.03 59.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.047 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -101.77 -1.53 32.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.763 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.22 19.72 48.83 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.95 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -97.04 134.72 40.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.361 . . . . 0.0 110.045 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 147.17 47.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.259 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.679 HG11 HG12 ' A' ' 51' ' ' ILE . 7.9 m -95.74 106.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.849 0.833 . . . . 0.0 110.66 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.477 HG21 ' HB ' ' A' ' 50' ' ' ILE . 7.9 tt -95.77 161.91 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.385 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' N ' HG12 ' A' ' 16' ' ' ILE . 3.8 tp 76.16 -101.34 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.159 0.584 . . . . 0.0 110.924 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' HB2' ' OG ' ' A' ' 21' ' ' SER . . . 59.48 111.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 112.049 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -58.42 -28.55 65.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.79 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' HB3' HG21 ' A' ' 42' ' ' THR . 60.9 m -137.53 81.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.059 0.456 . . . . 0.0 111.52 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.436 ' OG ' ' HB2' ' A' ' 18' ' ' ALA . 18.6 m -90.44 126.9 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.686 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 12.1 t70 -92.39 146.92 23.31 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -28.73 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -172.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.686 ' HG2' ' OD1' ' A' ' 22' ' ' ASP . 22.1 pttm -89.23 -29.0 19.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 2.1 t60 -130.36 88.4 47.65 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.544 171.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 35.6 Cg_endo -63.69 156.86 54.91 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.815 2.343 . . . . 0.0 112.561 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 30' ' ' ILE . 17.2 Cg_exo -67.84 5.6 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.585 2.857 . . . . 0.0 113.478 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.0 -24.9 64.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 29' ' ' ASN . 1.5 m120 -81.0 1.93 29.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.561 HG22 HG13 ' A' ' 31' ' ' ILE . 9.3 tt -79.56 -7.96 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 109.43 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.568 HD11 ' O ' ' A' ' 7' ' ' CYS . 23.7 mt -137.93 -96.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.618 172.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.473 ' H ' ' HB ' ' A' ' 31' ' ' ILE . 11.2 t70 68.43 -53.65 0.54 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.321 1.048 . . . . 0.0 112.484 173.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.16 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.935 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 4.1 m120 -89.62 128.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.593 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 6.0 Cg_exo -80.19 19.59 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.952 2.434 . . . . 0.0 112.729 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.935 ' HG2' ' HB3' ' A' ' 34' ' ' ASN . 13.1 mm-40 -65.15 -52.57 54.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.998 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -141.08 -173.06 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.934 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.736 ' H ' HG22 ' A' ' 37' ' ' THR . 10.3 p90 -149.21 -178.32 6.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.545 0.212 . . . . 0.0 110.732 -176.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -103.48 131.28 50.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 t -116.47 166.03 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.627 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.429 ' HA ' HE22 ' A' ' 47' ' ' GLN . 67.8 p -89.39 153.84 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -176.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 20' ' ' SER . 37.6 p -82.66 -29.87 29.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 174.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.36 22.22 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.322 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.61 68.46 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -76.2 152.94 84.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.464 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.775 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 72.0 Cg_endo -79.59 138.27 46.36 Favored 'Cis proline' 0 C--O 1.234 0.278 0 C-N-CA 123.323 -1.532 . . . . 0.0 112.607 -0.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 HE22 ' HA ' ' A' ' 41' ' ' THR . 6.8 mt-30 -108.17 131.55 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -124.33 157.23 35.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.658 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -148.45 145.68 28.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.853 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' HB ' HG21 ' A' ' 16' ' ' ILE . 70.8 mt -114.28 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.393 -174.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.679 HG12 HG11 ' A' ' 15' ' ' VAL . 24.9 mt -93.84 122.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 t -102.8 120.98 41.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.2 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.0 m-85 -76.74 -24.22 53.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.768 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' A' ' 141' ' ' LEU . 84.2 m-70 65.58 6.79 4.0 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.248 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HG3' HG11 ' A' ' 57' ' ' VAL . 53.0 pttt -155.49 169.19 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.84 ' HB3' ' HB3' ' A' ' 139' ' ' SER . 10.8 t60 -98.05 105.79 17.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.06 0.457 . . . . 0.0 110.32 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.625 ' HB ' HD13 ' A' ' 6' ' ' LEU . 23.5 m -112.86 154.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.999 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 52.2 ttp180 -100.24 111.91 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.8 mt -90.64 125.76 43.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.953 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -123.57 -13.47 7.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.611 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.49 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 5.8 mmt180 -148.8 157.81 43.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.038 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.754 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 7.4 mp -131.43 132.69 44.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.91 102.23 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.511 HG23 HG12 ' A' ' 131' ' ' VAL . 20.0 mm -100.71 101.64 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.037 -177.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -99.66 101.99 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.632 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 p -159.24 166.94 30.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 80.4 m-85 -118.88 147.77 43.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.127 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 64.27 -137.0 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.438 0.461 . . . . 0.0 110.431 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.687 ' HB ' HD11 ' A' ' 93' ' ' LEU . 57.7 t 71.58 121.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.34 0.59 . . . . 0.0 111.213 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -97.45 -72.59 0.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.2 m -108.12 107.28 17.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 0.0 110.965 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' A' ' 116' ' ' PHE . 55.4 tp -108.09 109.41 20.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.277 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.605 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 68.7 mttm -89.91 120.57 31.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.898 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 89' ' ' ILE . 31.1 mt -106.72 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -96.16 147.94 23.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.893 178.483 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 10.2 ptmm? -123.62 154.68 38.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.023 0.44 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -138.94 143.15 38.49 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -112.16 14.18 20.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.34 0.59 . . . . 0.0 110.417 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 t -87.99 -176.41 5.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.739 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 50.8 mtpt -103.78 -10.15 18.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.254 0.55 . . . . 0.0 110.023 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 30.4 tt0 -106.6 141.9 23.79 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.757 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 16.0 Cg_exo -70.13 44.72 0.46 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.37 2.713 . . . . 0.0 113.477 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.99 173.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.462 0.172 . . . . 0.0 110.631 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 55.6 69.15 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.844 0.715 . . . . 0.0 111.675 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.723 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 96.4 m-85 -94.15 141.15 28.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.362 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -117.24 130.9 56.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.903 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.574 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt0 -59.69 123.02 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.35 -173.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.588 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 12.0 t90 -94.61 -67.26 0.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.645 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.598 HG13 HD11 ' A' ' 74' ' ' ILE . 6.1 pt -144.72 137.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.189 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.22 123.44 46.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -119.62 139.81 51.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 0.0 111.176 -170.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.26 145.9 40.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.687 HD11 ' HB ' ' A' ' 69' ' ' VAL . 97.4 mt -117.75 174.35 6.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.641 0.258 . . . . 0.0 110.474 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.9 143.62 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -77.48 99.42 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.074 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.989 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 11.9 p -128.7 126.09 39.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.015 0.436 . . . . 0.0 111.926 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.98 117.35 26.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.82 8.31 67.94 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.683 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.989 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.5 mm100 -112.78 110.93 21.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.455 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -82.87 106.34 14.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -88.39 96.9 10.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -82.4 107.56 15.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 14.8 mm-40 -92.09 115.57 28.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.457 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.49 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mm-40 -86.57 103.42 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.385 173.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.754 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 75.3 mt -103.02 117.43 48.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.99 92.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.063 0.935 . . . . 0.0 110.311 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -126.64 118.88 25.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.3 p80 -108.1 108.31 19.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -174.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.03 -172.09 32.08 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.852 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.6 m -137.01 137.11 39.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -155.1 158.89 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.687 0.28 . . . . 0.0 110.836 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.0 p -109.71 -31.07 7.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -127.27 131.01 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.128 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.5 mt -115.31 123.45 48.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.478 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.445 ' HD2' ' CD2' ' A' ' 85' ' ' PHE . 76.4 ttt180 -106.54 102.45 11.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.579 ' HD2' HD13 ' A' ' 72' ' ' LEU . 38.3 m-85 -90.84 110.48 21.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.206 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 58.0 mt -107.52 107.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.503 HG21 HG13 ' A' ' 69' ' ' VAL . 47.8 mt -90.87 99.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.775 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 50.7 t -67.86 -45.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.203 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.6 t -158.1 175.15 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.03 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.02 174.62 11.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.09 -15.31 58.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 0.0 110.46 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.55 162.14 33.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -70.65 -20.18 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.551 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.5 122.29 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.94 16.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.716 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 t -135.96 126.51 26.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.427 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.56 125.48 59.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.593 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 20.0 t-80 -85.33 -46.47 10.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.412 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.8 m -161.19 134.2 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.964 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.511 HG12 HG23 ' A' ' 64' ' ' ILE . 3.1 m -115.57 90.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.409 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 20.9 m -95.07 153.64 17.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.595 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.11 119.81 37.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 61.3 mt-10 -102.83 149.97 23.96 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.316 0.579 . . . . 0.0 111.084 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 156.73 -137.64 5.54 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -176.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 p -145.35 153.99 41.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.182 0.491 . . . . 0.0 110.684 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.57 118.22 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.562 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.69 -38.3 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.691 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.84 ' HB3' ' HB3' ' A' ' 56' ' ' HIS . 21.3 t -135.02 149.82 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.611 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.418 ' HB3' ' H ' ' A' ' 141' ' ' LEU . 16.0 m120 -76.95 -165.71 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 0.0 111.685 -176.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 54' ' ' HIS . 7.0 tt -53.02 122.56 9.59 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.882 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 p -76.52 97.03 4.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.085 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.422 -178.552 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 136' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.345 0.117 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -127.57 144.27 51.09 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt 58.71 41.3 22.13 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.831 0.824 . . . . 0.0 110.099 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 tt -95.41 141.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.588 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -65.23 107.19 1.51 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 HD12 ' HB ' ' A' ' 57' ' ' VAL . 37.0 mt -90.17 -8.96 49.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.1 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -94.47 -16.44 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.956 0.408 . . . . 0.0 110.985 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.418 HD23 ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -60.86 140.62 57.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.622 -175.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.579 ' HB3' HD11 ' A' ' 31' ' ' ILE . 2.2 p -63.3 -17.39 62.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.147 177.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.418 ' OG ' HD23 ' A' ' 8' ' ' LEU . 8.4 m -71.24 -17.38 62.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.33 0.586 . . . . 0.0 109.949 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -97.12 -1.15 45.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 12.75 72.87 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.859 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.8 m -72.16 133.86 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.489 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -111.83 153.0 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.668 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 27' ' ' PRO . 14.9 m -101.87 140.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.059 174.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.93 HG22 ' HB ' ' A' ' 50' ' ' ILE . 3.6 tt -130.93 146.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -175.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt 71.8 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.802 178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 52.42 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.71 0.631 . . . . 0.0 111.814 -173.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HG1' ' HG2' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -65.03 -40.75 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.572 -178.232 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 m -92.15 89.35 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -120.5 117.46 27.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.61 151.52 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.423 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.79 -30.69 32.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.941 0.401 . . . . 0.0 110.32 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.13 -22.03 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.077 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -131.44 76.39 75.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.754 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 6.2 Cg_exo -79.72 156.91 24.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.273 2.649 . . . . 0.0 112.341 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.41 ' HB2' HG22 ' A' ' 15' ' ' VAL . 18.7 Cg_exo -67.69 -7.36 19.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.371 2.714 . . . . 0.0 113.78 -175.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -11.57 47.43 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.497 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.61 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -70.23 -16.23 63.02 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.233 173.305 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' CG1' ' HB3' ' A' ' 39' ' ' TRP . 47.4 mt -56.75 -56.3 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.579 HD11 ' HB3' ' A' ' 9' ' ' SER . 0.7 OUTLIER -84.05 -91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.559 173.36 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 32.5 t70 74.26 -51.18 0.68 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 165.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.28 18.03 10.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.202 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HB2' ' OG1' ' A' ' 37' ' ' THR . 52.5 m-80 -134.6 138.18 29.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 13.2 Cg_exo -71.49 -29.42 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.769 2.313 . . . . 0.0 112.447 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -83.16 -16.87 44.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.649 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 34' ' ' ASN . 8.3 p -91.35 139.09 31.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.237 -0.29 . . . . 0.0 110.235 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -154.0 167.25 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.414 ' HE3' HG13 ' A' ' 128' ' ' VAL . 61.6 t90 -119.2 140.57 49.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -133.51 165.92 23.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -100.07 141.76 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p -87.84 24.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.87 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.88 -0.69 87.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.619 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 ttt -76.88 85.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.61 0.243 . . . . 0.0 110.682 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -106.92 128.74 25.53 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.357 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 92.3 Cg_endo -88.05 154.62 39.52 Favored 'Cis proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.217 -1.576 . . . . 0.0 112.715 -0.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.728 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -127.64 175.4 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.772 176.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' HG2' ' HG1' ' A' ' 19' ' ' THR . 12.2 pt-20 -150.59 144.4 25.25 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.988 0.423 . . . . 0.0 111.018 -175.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.93 ' HB ' HG22 ' A' ' 16' ' ' ILE . 19.2 mt -105.83 129.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -114.06 120.95 65.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.1 p -103.56 133.03 49.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.078 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 98.0 m-85 -70.69 -13.0 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.278 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.53 ' CE1' ' HG ' ' A' ' 141' ' ' LEU . 9.1 t-80 69.55 9.43 7.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.018 175.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 139' ' ' SER . 45.1 pttt -168.28 -176.3 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.324 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 27.2 m170 -91.96 117.67 30.03 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.513 ' HB ' HD12 ' A' ' 6' ' ' LEU . 21.5 m -131.97 168.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.082 0.467 . . . . 0.0 111.639 -176.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 55.3 mtt-85 -118.97 125.3 49.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.004 172.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -97.97 127.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -120.83 -34.35 3.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.768 0.318 . . . . 0.0 110.602 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 mtp-105 -146.36 141.59 27.39 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.385 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -110.16 115.8 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.486 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 58.9 t -91.13 100.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.623 HG22 HG13 ' A' ' 131' ' ' VAL . 35.7 mt -115.62 115.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.473 0.654 . . . . 0.0 111.936 -174.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HG3' HD21 ' A' ' 100' ' ' LEU . 47.2 tt0 -96.46 102.79 14.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.44 171.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 p -122.05 153.61 38.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.199 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.518 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 m-85 -135.97 138.13 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.681 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 72.39 -10.75 0.88 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.878 0.736 . . . . 0.0 112.414 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.61 144.08 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -113.82 -63.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 109.662 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -119.38 105.32 11.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' HD1' ' A' ' 116' ' ' PHE . 41.6 tp -108.95 104.63 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -89.78 121.01 31.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.679 HD11 HG13 ' A' ' 89' ' ' ILE . 43.4 mt -100.09 107.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.688 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 14.3 mt-10 -95.72 134.52 38.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -106.96 131.09 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.507 -174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.465 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 75.4 m -131.33 130.04 42.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.834 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -117.21 27.48 9.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.603 0.716 . . . . 0.0 109.669 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -94.76 -178.68 4.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.817 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 24.0 pttm -77.49 -24.93 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.597 0.713 . . . . 0.0 109.892 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.817 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 14.3 mt-10 -119.15 158.16 49.03 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.82 70.43 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.976 1.784 . . . . 0.0 111.272 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.83 159.81 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.555 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.78 85.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.378 0.609 . . . . 0.0 110.195 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.688 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 93.9 m-85 -107.99 110.05 21.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 -176.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.59 142.1 30.2 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -73.08 96.43 2.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 109.33 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.51 -67.04 0.76 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.084 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.679 HG13 HD11 ' A' ' 74' ' ' ILE . 4.4 pt -145.32 115.03 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.922 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.74 119.22 31.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 172.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -99.77 123.4 43.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.394 0.616 . . . . 0.0 111.635 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -94.8 120.98 35.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.804 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -107.08 145.31 32.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.721 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.69 143.99 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -66.97 103.77 1.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.665 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 40.2 p -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.082 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 99' ' ' GLN . 0.8 OUTLIER -104.16 124.37 48.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 177.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.56 -24.37 3.74 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.006 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 58.8 tt0 -96.07 111.17 23.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 110.211 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.0 tt -82.59 109.22 16.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -85.67 94.73 9.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.306 0.574 . . . . 0.0 111.553 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.11 97.37 10.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -92.29 116.06 28.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 111.468 -171.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -80.1 98.39 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.475 173.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 72.1 mt -90.47 97.88 7.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.87 0.367 . . . . 0.0 110.601 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.63 100.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 110.15 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.58 117.49 12.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.391 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -98.99 112.75 24.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -174.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 -174.18 36.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.4 m -136.7 139.72 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.36 155.94 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.7 p -109.99 -33.79 6.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.061 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.465 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 93.0 m-85 -127.3 128.29 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.095 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.4 mt -115.03 125.61 53.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.551 ' CG ' HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -106.45 103.44 12.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.423 ' HD1' HD11 ' A' ' 72' ' ' LEU . 50.3 m-85 -85.98 112.22 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.197 177.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.9 mt -111.42 110.67 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.728 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 50.6 mt -84.24 93.89 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.485 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.5 t -64.52 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.005 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.8 m -156.41 157.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.99 167.03 21.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -86.17 -14.64 43.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.966 0.412 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -120.86 171.27 8.74 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.932 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -11.19 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.796 0.332 . . . . 0.0 111.032 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -136.31 154.16 50.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.693 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.07 139.01 28.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -131.09 147.34 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.239 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.414 HG13 ' HE3' ' A' ' 39' ' ' TRP . 9.8 p -135.2 155.04 36.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -131.13 -63.7 0.84 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.214 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -110.74 105.12 13.87 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.556 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.623 HG13 HG22 ' A' ' 64' ' ' ILE . 3.8 m -119.02 90.76 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.069 171.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.486 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 49.8 m -100.16 146.22 27.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.323 -172.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -114.35 109.12 17.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -94.43 119.88 33.82 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -169.69 -131.43 1.32 Allowed Glycine 0 N--CA 1.437 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.84 177.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 1' ' ' MET . 36.3 p -140.49 171.15 14.53 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.492 HG12 HG12 ' A' ' 57' ' ' VAL . 16.1 m -108.24 126.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.175 0.512 . . . . 0.0 110.917 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.73 -40.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 47.9 m -150.66 117.17 5.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.666 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -81.43 166.56 20.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.849 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.53 ' HG ' ' CE1' ' A' ' 54' ' ' HIS . 0.8 OUTLIER -78.08 73.69 4.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.848 0.832 . . . . 0.0 109.637 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.5 m -146.63 17.41 1.29 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.057 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.161 -177.329 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -128.93 8.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.209 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 18.4 pttp -135.3 105.53 6.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.863 0.839 . . . . 0.0 110.614 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 135' ' ' GLY . 9.2 tt -111.09 154.29 12.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.156 175.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.74 105.12 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 109.982 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 35.4 mt -90.66 11.36 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.132 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -93.05 -3.5 54.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.41 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 30.0 mt -87.95 143.58 27.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.335 0.588 . . . . 0.0 111.388 -172.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.556 ' HB3' HG13 ' A' ' 31' ' ' ILE . 52.8 p -73.66 -17.31 61.16 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.298 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -91.49 -11.41 37.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 5.2 tm-20 -76.18 -33.4 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.286 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.62 16.64 3.34 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.369 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 m -110.77 147.35 34.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 0.237 . . . . 0.0 110.447 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -126.3 153.59 44.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 110.676 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.2 139.05 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.889 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.467 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.2 tt -137.78 133.79 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.485 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 tt 67.38 94.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.46 129.65 56.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -54.48 -37.1 64.86 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.558 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 t -152.34 161.82 42.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.593 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 48.1 t -168.36 151.86 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -177.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -118.42 141.41 48.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.39 -8.57 54.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.961 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -31.91 49.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -141.89 89.39 8.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.915 171.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.547 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 58.2 Cg_endo -70.44 158.67 55.38 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.105 2.537 . . . . 0.0 112.928 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HD3' ' OG ' ' A' ' 21' ' ' SER . 41.4 Cg_exo -58.22 -24.8 68.98 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.698 2.932 . . . . 0.0 113.58 -176.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' OE1' ' HB2' ' A' ' 26' ' ' PRO . 1.4 pm0 -61.44 -14.61 29.81 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.318 -0.239 . . . . 0.0 111.55 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 27.8 t-20 -68.89 -22.87 64.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.491 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 tt -67.21 -26.2 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.414 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.556 HG13 ' HB3' ' A' ' 9' ' ' SER . 14.9 pt -107.63 -16.89 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.415 0.626 . . . . 0.0 110.451 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.4 t70 -65.7 -50.74 63.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.346 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.32 5.73 32.08 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.588 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -83.8 117.25 68.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.551 0.675 . . . . 0.0 110.028 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -83.47 19.43 1.34 Allowed 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.544 2.829 . . . . 0.0 113.716 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.71 -60.22 2.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.529 0.68 . . . . 0.0 110.86 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 m -151.49 164.05 37.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.336 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.846 ' HB3' ' HB2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -94.02 171.93 8.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -85.29 125.59 33.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -132.07 143.88 50.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.158 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 158.81 19.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.253 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.8 p -82.66 21.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.47 48.7 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.606 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.869 ' HE1' ' HA ' ' A' ' 44' ' ' MET . 7.8 mmt -80.8 88.94 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -107.16 146.75 33.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.784 174.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 166.93 81.47 Favored 'Cis proline' 0 N--CA 1.462 -0.367 0 C-N-CA 123.09 -1.629 . . . . 0.0 112.095 -0.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.78 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 51.2 mt-30 -107.22 148.96 28.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 10.2 pt-20 -158.35 122.24 4.02 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.747 168.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -128.69 141.21 51.41 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.435 176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.0 mt -109.69 122.76 64.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -174.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -107.74 120.04 58.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.3 p -106.74 127.33 53.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.48 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 96.0 m-85 -70.57 -13.52 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.745 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 66.22 13.77 9.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.347 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 22.7 pttm -169.14 167.09 10.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -87.36 107.07 18.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 0.0 110.331 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.74 168.68 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 111.11 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.423 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.4 ttm180 -117.56 128.41 54.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.481 173.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.06 133.14 46.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.291 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.568 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 35.5 tt0 -105.5 -40.73 5.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.966 0.412 . . . . 0.0 110.002 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.568 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 65.6 mtt-85 -141.47 146.91 37.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.203 0.525 . . . . 0.0 111.623 -175.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 60.4 mt -115.25 105.66 13.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.141 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 54.6 t -91.19 95.71 5.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.823 HG22 HG11 ' A' ' 131' ' ' VAL . 28.7 mt -107.67 116.05 50.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -172.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 101' ' ' GLN . 47.2 mt-30 -109.69 110.36 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.848 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -136.16 167.82 20.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.299 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -136.13 144.38 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.718 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 75.17 -23.38 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.836 0.854 . . . . 0.0 112.984 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.523 HG12 HG22 ' A' ' 118' ' ' ILE . 55.0 t -54.99 136.03 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -114.97 -50.77 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.4 m -120.16 113.87 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.776 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -122.46 107.74 12.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 58.0 tttm -101.49 109.06 20.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.729 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -95.59 111.79 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.25 151.85 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 178.214 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 88' ' ' TRP . 16.1 ptpt -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.7 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.427 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 9.5 t -143.17 143.95 31.99 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 170.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.6 p -113.29 7.82 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.985 0.421 . . . . 0.0 111.427 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -91.85 178.96 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.632 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -103.65 9.55 37.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.903 0.859 . . . . 0.0 109.207 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 26.0 mt-10 -119.24 139.86 28.15 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.567 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 7.6 Cg_exo -74.62 45.97 1.37 Allowed 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.142 2.561 . . . . 0.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.85 143.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.833 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 63.78 97.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.907 174.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.57 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 70.4 m-85 -113.0 145.31 41.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.798 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -102.41 144.52 30.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.638 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.519 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 22.9 pt20 -67.84 131.69 46.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 10.3 t90 -118.92 -72.75 0.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.416 HD11 ' HB3' ' A' ' 107' ' ' ALA . 63.7 mt -128.97 100.56 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.886 0.374 . . . . 0.0 111.336 -175.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.73 101.06 12.72 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -115.04 140.56 48.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.7 134.77 46.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.544 173.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.01 172.44 7.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.43 143.6 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.17 104.11 2.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.449 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.545 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.2 p -112.45 121.97 46.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.413 175.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.3 141.11 36.49 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.95 -40.42 2.66 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.051 -173.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.545 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.6 mt-30 -92.84 110.84 22.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.48 120.59 15.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.8 tm0? -69.55 97.68 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -119.99 102.81 8.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.332 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 47.2 mm-40 -92.32 120.95 33.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -99.58 89.51 4.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 57.3 mt -94.95 110.08 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.938 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.39 88.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.069 0.938 . . . . 0.0 109.598 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.425 ' HB2' HG22 ' A' ' 105' ' ' ILE . . . -123.56 114.11 19.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.72 -172.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -99.08 122.33 42.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.522 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 168.82 40.63 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.46 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m -131.31 114.08 14.58 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.09 161.49 38.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.891 0.377 . . . . 0.0 111.054 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.7 p -108.15 -33.22 7.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.259 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.426 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 40.4 m-85 -125.24 131.5 53.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.381 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 mt -114.91 127.19 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.726 0.298 . . . . 0.0 110.214 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -107.43 103.66 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 76.5 m-85 -90.03 103.52 16.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 46.3 mt -98.23 98.26 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.78 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 48.1 mt -85.27 90.63 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.6 t -60.37 -64.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.6 m -137.31 159.06 43.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.354 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.5 174.09 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.309 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -83.08 -5.8 59.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.53 175.23 9.78 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -88.59 -7.81 55.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.097 0.475 . . . . 0.0 110.07 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -127.97 122.36 32.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.788 175.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.86 150.44 28.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.5 p -142.64 133.81 26.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.881 0.372 . . . . 0.0 111.759 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.64 147.01 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 58.7 t-80 -130.18 -50.48 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.079 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 m -115.32 105.32 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.111 0.481 . . . . 0.0 111.264 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.823 HG11 HG22 ' A' ' 64' ' ' ILE . 3.8 m -116.81 90.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.544 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 40.0 m -90.69 129.01 36.83 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.662 -170.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.35 104.79 14.58 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 18.1 mt-10 -94.43 124.25 38.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.764 0.792 . . . . 0.0 110.345 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.444 ' O ' HG23 ' A' ' 4' ' ' ILE . . . 176.12 -148.8 9.44 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.627 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.66 155.37 40.95 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.556 0.678 . . . . 0.0 111.535 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.5 m -71.81 138.27 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.251 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.82 -48.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 t -137.28 120.85 17.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.354 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -92.65 136.33 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.825 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -5.66 37.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.866 0.365 . . . . 0.0 111.346 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.3 m -79.46 9.26 5.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.766 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.66 178.039 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.01 25.72 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.961 -175.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -147.91 113.32 5.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 111.098 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.517 HG22 ' HG ' ' A' ' 6' ' ' LEU . 14.3 tt -124.54 154.54 32.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.89 174.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.12 86.23 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.503 0.668 . . . . 0.0 111.139 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB2' ' HB1' ' A' ' 133' ' ' ALA . 48.0 mt -79.98 10.92 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.432 -175.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 131' ' ' VAL . 46.0 t -94.58 -9.7 34.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.534 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.46 139.93 39.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 111.694 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.631 ' HB3' HD13 ' A' ' 31' ' ' ILE . 9.4 p -65.88 -18.78 65.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.159 174.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -71.78 -21.85 61.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.697 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.67 -19.48 27.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.878 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.38 7.65 13.85 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.345 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 m -76.29 123.41 25.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.05 0.453 . . . . 0.0 110.648 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -125.32 120.33 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.247 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -85.09 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.187 0.518 . . . . 0.0 111.191 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.543 ' CG1' ' HB ' ' A' ' 50' ' ' ILE . 3.9 pt -124.31 166.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.28 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.506 ' HB2' HG13 ' A' ' 16' ' ' ILE . 2.9 tp 69.02 14.6 8.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.95 0.5 . . . . 0.0 112.157 168.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.37 115.72 3.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.023 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -52.35 -51.13 60.52 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.48 0.487 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -111.87 139.1 47.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.716 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -137.01 105.69 5.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -97.83 142.14 29.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.324 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -70.3 -29.63 66.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.51 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.38 -8.25 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.608 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -143.54 76.96 15.64 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.493 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.42 128.97 13.28 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.522 2.148 . . . . 0.0 112.858 -174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.88 -23.43 75.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.983 2.456 . . . . 0.0 112.059 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.61 -10.59 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 HD21 ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.03 -12.46 50.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.096 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.76 -39.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.165 0.507 . . . . 0.0 109.833 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.631 HD13 ' HB3' ' A' ' 9' ' ' SER . 11.9 pt -83.27 8.07 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' HD21 ' A' ' 29' ' ' ASN . 18.5 t70 -102.42 -37.27 8.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.571 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 49.2 8.98 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.556 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -97.44 120.21 61.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.494 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.1 -5.27 10.6 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.176 2.584 . . . . 0.0 113.099 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -95.91 -44.13 7.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 0.0 111.443 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -102.5 149.66 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.499 -172.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.558 ' HB2' ' HA ' ' A' ' 129' ' ' HIS . 46.7 p90 -145.54 165.58 28.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.285 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.557 ' HE3' HG13 ' A' ' 128' ' ' VAL . 57.7 t90 -105.62 144.14 32.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.002 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 164.12 30.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -116.82 160.21 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -87.07 26.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.139 0.495 . . . . 0.0 111.229 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.99 29.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.162 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.463 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 64.4 mtt -91.81 95.28 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.711 0.291 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -107.04 129.86 23.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.397 174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.888 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 3.2 Cg_exo -81.45 164.01 77.29 Favored 'Cis proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.599 -1.417 . . . . 0.0 111.695 -2.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.4 pt20 -127.42 138.85 53.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.152 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.09 144.98 48.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.979 0.418 . . . . 0.0 110.789 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -145.09 144.93 31.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.19 172.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.543 ' HB ' ' CG1' ' A' ' 16' ' ' ILE . 72.5 mt -109.22 114.97 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.834 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -92.35 107.44 18.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.7 m -86.93 116.49 25.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.603 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 95.4 m-85 -77.91 -25.65 48.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 65.24 11.22 7.06 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.087 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 140' ' ' ASN . 52.6 pttt -156.28 163.85 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.42 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -89.35 109.07 20.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' ' 137' ' ' VAL . 24.3 m -123.31 156.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 112.043 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 7.6 ttp85 -107.98 111.8 24.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.713 175.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 80.7 mt -92.78 133.04 35.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.37 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.7 -1.59 8.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.977 0.418 . . . . 0.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -166.44 137.91 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.502 HD11 HD12 ' A' ' 89' ' ' ILE . 96.9 mt -119.96 125.94 49.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.55 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.674 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 90.4 t -101.54 111.87 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.453 HG12 HD12 ' A' ' 105' ' ' ILE . 17.9 mm -106.72 104.02 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.092 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -103.99 102.35 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB3' HG22 ' A' ' 128' ' ' VAL . 12.6 p -151.29 -179.87 7.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -174.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.843 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 19.7 m-85 -121.01 142.59 49.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.356 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 65.0 -96.78 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.754 0.659 . . . . 0.0 111.91 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.832 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.4 t 58.2 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.179 0.592 . . . . 0.0 110.659 -176.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.832 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -172.7 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.1 m -105.56 99.79 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.036 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD11 ' HD2' ' A' ' 116' ' ' PHE . 28.4 tp -103.67 101.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.492 0.663 . . . . 0.0 110.366 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HE3' HD11 ' A' ' 117' ' ' ILE . 52.9 tttp -90.64 106.94 18.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.572 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.597 HD11 HG13 ' A' ' 89' ' ' ILE . 36.7 mt -96.18 108.7 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.744 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 23.7 tt0 -111.62 136.63 50.57 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.53 155.48 22.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.229 0.538 . . . . 0.0 111.594 -172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 11.5 t -142.87 132.64 23.98 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 165.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -113.17 12.73 19.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 0.0 110.4 -177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -89.58 -164.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.697 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.459 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 2.7 ptmm? -107.15 -6.4 17.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.123 0.487 . . . . 0.0 110.938 178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 25.3 mp0 -97.81 146.29 31.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.62 32.65 0.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.645 2.23 . . . . 0.0 112.165 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.73 166.9 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.823 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.1 t70 63.17 105.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.053 0.845 . . . . 0.0 110.84 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.744 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 98.1 m-85 -126.31 156.46 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 112.328 -169.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -115.54 136.37 53.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.929 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -75.08 116.68 16.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.952 0.406 . . . . 0.0 110.491 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -90.93 -78.6 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.352 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.597 HG13 HD11 ' A' ' 74' ' ' ILE . 7.0 pt -141.24 109.96 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 111.368 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.24 105.34 17.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -112.88 144.66 42.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.98 0.419 . . . . 0.0 111.29 -170.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.2 p-10 -98.95 149.02 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.799 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.481 HD12 ' HB ' ' A' ' 69' ' ' VAL . 82.8 mt -121.77 173.48 7.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.371 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.62 146.95 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -62.84 105.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -91.28 119.33 31.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.09 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -103.79 118.0 35.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.073 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.24 38.97 91.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.595 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.69 132.82 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.703 0.287 . . . . 0.0 111.236 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.843 ' HG ' ' HE1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -97.64 97.22 8.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.606 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -106.38 136.06 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.132 0.491 . . . . 0.0 111.091 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 102' ' ' ASN . 0.7 OUTLIER -97.03 115.61 27.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.04 175.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.07 130.02 37.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -107.76 99.78 9.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.195 -175.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.462 HG22 HD11 ' A' ' 89' ' ' ILE . 3.1 mp -99.17 119.56 47.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.432 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.49 97.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.729 0.776 . . . . 0.0 109.634 173.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.9 112.33 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.471 -173.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.432 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 52.6 m-70 -102.23 112.08 24.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 157.69 30.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.875 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 p -104.38 136.68 43.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.93 161.52 41.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.048 0.452 . . . . 0.0 111.526 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 p -122.09 -33.93 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.492 174.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.415 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 88.7 m-85 -125.29 126.62 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.549 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.463 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 30.4 mt -114.79 121.25 42.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.588 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 17.5 ttp180 -106.38 100.54 10.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.12 0.486 . . . . 0.0 110.004 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.537 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.7 m-85 -82.61 116.34 21.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.904 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.588 HD12 ' CZ ' ' A' ' 115' ' ' ARG . 55.6 mt -114.4 107.32 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.8 mt -88.29 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.888 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -62.52 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.019 -173.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 69.2 m -155.6 165.89 35.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.848 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -132.07 168.89 17.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.89 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -70.2 -8.65 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.469 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -135.48 -172.18 3.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -95.83 -6.4 39.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.473 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.43 133.74 48.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.407 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -136.13 118.35 15.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 67' ' ' TYR . 15.0 m -142.08 122.69 14.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.557 HG13 ' HE3' ' A' ' 39' ' ' TRP . 8.2 p -100.53 130.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.558 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 6.5 t60 -79.54 -59.19 2.85 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 m -160.27 159.61 31.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.952 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.439 HG23 ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -128.0 170.95 16.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.674 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.8 m -149.72 128.8 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 6' ' ' LEU . . . -106.05 107.67 18.78 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.41 123.7 40.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.253 0.549 . . . . 0.0 110.672 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 175.44 -144.41 7.21 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -137.97 154.83 49.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 0.0 111.32 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.49 ' HA ' HG13 ' A' ' 57' ' ' VAL . 59.4 t -83.43 112.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.942 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.68 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.036 0.445 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -152.97 116.34 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.575 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.607 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 89.8 m-20 -62.32 166.92 4.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.767 173.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.15 124.78 21.32 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 24.1 t -170.1 167.03 8.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.068 -174.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.247 0.943 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.307 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.747 0.308 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.588 ' HE ' ' HG2' ' A' ' 60' ' ' GLU . 31.5 ptt-85 -130.47 59.7 1.64 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 0.0 110.632 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -130.04 93.55 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.056 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 6.5 tt -134.52 128.05 50.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -63.48 106.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.514 0.673 . . . . 0.0 110.268 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.718 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 25.9 mt -84.88 -2.44 57.81 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.379 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.03 -14.37 25.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 0.0 111.376 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.48 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 65.5 mt -64.08 131.43 47.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.177 0.513 . . . . 0.0 112.095 -176.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.718 ' HB3' HD13 ' A' ' 31' ' ' ILE . 18.6 p -64.81 -20.05 66.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.438 170.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 m -72.5 -23.61 61.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 50.1 mm-40 -95.35 9.74 38.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.26 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.79 9.73 59.54 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.647 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' SER . 19.2 m -86.44 149.5 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.382 0.591 . . . . 0.0 110.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -132.99 151.04 52.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.32 110.72 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.847 0.832 . . . . 0.0 111.192 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.633 HG21 ' HB ' ' A' ' 50' ' ' ILE . 7.2 tt -113.02 154.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.417 -175.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER 74.5 20.22 2.53 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.901 0.48 . . . . 0.0 112.149 171.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.74 117.71 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.274 -0.266 . . . . 0.0 110.938 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -65.03 -61.23 2.28 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -103.94 102.42 12.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.033 0.444 . . . . 0.0 110.987 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -91.58 119.95 31.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 11.3 t70 -96.77 147.38 23.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.72 -20.51 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.063 0.459 . . . . 0.0 111.454 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -89.97 -30.14 18.0 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -129.5 81.69 69.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.989 170.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 29.1 Cg_endo -62.48 155.24 59.2 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.066 2.511 . . . . 0.0 113.168 -173.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 30' ' ' ILE . 35.6 Cg_exo -58.33 -20.99 50.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.018 2.479 . . . . 0.0 112.233 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.47 -14.9 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.19 -12.5 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.464 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 27' ' ' PRO . 11.3 tt -78.26 -27.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.551 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 9' ' ' SER . 4.9 pt -94.09 13.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 122.006 0.908 . . . . 0.0 109.596 174.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.442 ' CG ' HD21 ' A' ' 34' ' ' ASN . 21.6 t70 -109.6 -64.91 1.2 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.647 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.16 21.64 77.72 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 114.277 171.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.442 HD21 ' CG ' ' A' ' 32' ' ' ASP . 43.7 m-80 -84.85 147.56 48.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 117.733 0.767 . . . . 0.0 110.189 176.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.77 16.19 0.28 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.321 2.68 . . . . 0.0 114.135 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -96.9 -41.07 8.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 t -151.52 141.0 21.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 42.2 p90 -145.84 170.0 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.059 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -87.54 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.029 0.442 . . . . 0.0 110.997 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -122.59 139.67 53.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.501 HG21 ' H ' ' A' ' 43' ' ' GLY . 7.3 m -76.55 139.28 40.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.115 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -77.76 -9.8 59.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 111.626 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' H ' HG21 ' A' ' 41' ' ' THR . . . 115.16 -3.24 22.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.405 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -78.84 97.57 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.082 0.468 . . . . 0.0 110.728 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.06 147.93 36.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.587 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.81 155.53 97.67 Favored 'Cis proline' 0 C--O 1.235 0.371 0 C-N-CA 122.995 -1.669 . . . . 0.0 112.09 -1.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.482 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 19.9 pt20 -106.97 144.06 34.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.138 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HB2' ' HD3' ' A' ' 115' ' ' ARG . 10.2 pt-20 -143.9 131.11 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.268 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 116' ' ' PHE . 37.7 p90 -145.17 143.65 30.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.633 ' HB ' HG21 ' A' ' 16' ' ' ILE . 55.6 mt -109.84 112.45 40.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.802 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.65 112.97 27.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.74 131.33 44.37 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.078 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 99.6 m-85 -72.42 -24.28 61.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.021 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 67.82 15.78 9.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.361 0.601 . . . . 0.0 110.275 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 18.8 pttm -162.57 155.86 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.599 -176.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -82.72 105.8 14.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG12 HG23 ' A' ' 137' ' ' VAL . 33.8 m -119.12 169.35 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.048 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.2 ttt180 -129.09 117.02 20.15 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.729 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.0 mt -90.02 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.506 -175.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.588 ' HG2' ' HE ' ' A' ' 2' ' ' ARG . 14.5 tp10 -115.76 -26.89 7.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.332 0.587 . . . . 0.0 110.261 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -165.8 139.1 4.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.742 -174.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.709 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.2 mp -110.19 140.14 44.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.713 0.292 . . . . 0.0 110.419 177.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.93 95.48 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.5 mm -100.81 111.19 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.794 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.509 ' NE2' ' HG ' ' A' ' 130' ' ' SER . 44.0 mt-30 -117.44 107.95 14.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.138 176.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.1 m -147.81 167.31 25.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.99 143.05 45.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.807 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 70.65 2.64 4.2 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 170.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.4 125.94 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.792 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.756 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 34.2 tt0 -111.39 -76.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.0 m -85.2 101.36 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.165 0.507 . . . . 0.0 110.344 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.729 HD12 ' HD1' ' A' ' 116' ' ' PHE . 17.8 tp -112.33 110.13 20.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.39 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.629 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 40.6 tttp -97.31 108.36 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.104 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.09 106.78 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.051 0.453 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 28.3 tt0 -95.89 135.7 37.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.156 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 10.4 ttmt -111.51 135.74 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.011 0.434 . . . . 0.0 112.019 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 51.0 m -136.88 127.57 27.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.191 170.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.34 16.45 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.386 0.612 . . . . 0.0 110.519 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -86.09 157.2 20.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.95 -4.2 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.373 0.606 . . . . 0.0 109.854 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HB2' HG23 ' A' ' 83' ' ' VAL . 31.4 mt-10 -117.44 154.56 50.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.485 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -75.07 43.05 0.92 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.758 2.306 . . . . 0.0 112.657 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' A' ' 81' ' ' GLU . 30.9 m -129.02 169.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.24 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 63.45 106.76 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.061 0.851 . . . . 0.0 111.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 55.8 m-85 -115.8 127.32 54.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -127.67 128.62 45.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.35 110.07 5.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 14.5 t90 -84.43 -67.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.333 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.2 mt -134.84 143.1 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -139.02 115.24 10.34 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -120.58 161.57 21.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.518 . . . . 0.0 112.056 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.756 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 3.7 p30 -133.02 133.6 43.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.472 171.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.94 166.06 11.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.43 154.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.646 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -58.22 113.94 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 17.4 p -129.1 114.57 16.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.804 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -100.95 113.45 26.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.725 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 -18.52 34.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.8 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.443 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 77.4 mt-30 -92.47 112.12 23.95 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.47 101.85 4.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -88.36 89.45 7.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.52 109.08 3.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.91 104.21 16.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.723 0.773 . . . . 0.0 110.069 -171.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.1 pt-20 -90.06 102.55 15.26 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.299 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 38.8 mm -79.71 98.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.374 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 m -75.05 90.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.785 0.802 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.183 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.729 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.2 p80 -103.6 111.05 23.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.411 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.43 34.13 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.531 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -108.8 131.66 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.669 0.235 . . . . 0.0 110.379 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -157.15 154.19 28.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.702 0.287 . . . . 0.0 110.712 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 p -115.39 -34.98 4.76 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.223 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.665 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 39.1 m-85 -122.32 131.3 53.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.94 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' A' ' 76' ' ' LYS . 69.1 mt -127.43 126.3 42.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.543 0.211 . . . . 0.0 110.442 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 50' ' ' ILE . 4.6 ttm-85 -106.3 110.65 22.95 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.729 ' HD1' HD12 ' A' ' 72' ' ' LEU . 67.9 m-85 -85.1 109.95 18.62 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.629 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 36.0 mt -106.03 102.43 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.965 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.482 ' HB ' ' CG ' ' A' ' 47' ' ' GLN . 52.1 mt -88.76 99.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.1 -46.71 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.984 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -127.09 127.35 44.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.746 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.36 159.83 30.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -70.88 -30.37 66.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.534 . . . . 0.0 110.483 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.87 -172.27 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.499 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.7 m-70 -101.18 -4.58 26.96 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -122.91 122.31 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.816 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.7 137.89 41.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.928 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.423 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . 18.7 m -127.92 111.81 14.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -94.82 109.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.249 0.547 . . . . 0.0 110.073 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -73.05 -54.19 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.509 ' HG ' ' NE2' ' A' ' 65' ' ' GLN . 3.0 p -164.34 125.96 2.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.945 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.31 118.27 54.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.963 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 44.4 m -121.31 145.25 48.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.51 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -110.67 120.23 41.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.11 143.21 26.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.257 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 149.08 -154.46 25.81 Favored Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -143.28 163.68 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 117.206 0.503 . . . . 0.0 111.311 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.502 HG23 HG12 ' A' ' 57' ' ' VAL . 31.5 t -89.38 114.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.072 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.81 -44.7 98.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p -164.97 126.42 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.13 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -76.97 140.17 40.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 168.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.47 108.74 1.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.967 0.413 . . . . 0.0 111.071 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 p -133.67 68.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.501 0.667 . . . . 0.0 110.557 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 -179.653 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -120.31 -161.79 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 68.17 61.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.663 0.602 . . . . 0.0 111.769 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.6 tt -95.39 133.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.27 91.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.084 0.468 . . . . 0.0 110.702 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD23 HG13 ' A' ' 57' ' ' VAL . 20.5 mt -82.91 8.1 13.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.072 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 24.7 p -94.24 -30.96 14.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.631 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.14 139.32 58.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -166.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -62.35 -21.66 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.278 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -70.7 -20.1 62.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.17 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -92.18 2.11 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.05 13.72 61.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.954 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.7 p -72.31 162.23 29.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.907 0.384 . . . . 0.0 110.324 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 10.1 tp10 -142.91 140.62 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.157 178.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.84 102.07 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.008 0.908 . . . . 0.0 109.935 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.548 HG21 ' HB ' ' A' ' 50' ' ' ILE . 4.3 tt -105.08 131.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.288 -176.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 6.3 tt 71.0 118.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.68 0.613 . . . . 0.0 111.029 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' GLU . . . -151.57 135.44 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.915 176.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -63.36 -28.95 70.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.542 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -120.99 139.61 53.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.817 0.341 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -156.83 151.48 25.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -145.44 157.22 44.05 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -86.81 -24.96 24.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.997 0.427 . . . . 0.0 111.104 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -92.5 -30.54 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.87 85.32 60.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.243 174.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.96 149.55 22.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.127 2.551 . . . . 0.0 112.991 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.695 ' HB3' ' CD1' ' A' ' 39' ' ' TRP . 56.9 Cg_endo -74.36 -5.49 17.0 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.88 2.387 . . . . 0.0 112.798 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.23 -12.75 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.227 0.537 . . . . 0.0 111.224 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.05 -3.22 51.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.316 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.4 tt -66.15 -35.35 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 111.309 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 10.7 pt -80.69 -26.91 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.644 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.9 -18.05 41.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.34 53.34 5.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.163 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.9 OUTLIER -83.86 130.72 54.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 -179.244 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.58 -42.52 4.92 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.709 2.273 . . . . 0.0 112.422 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.3 -60.55 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m -94.95 115.37 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.109 0.48 . . . . 0.0 110.877 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -133.86 174.74 10.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.241 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.695 ' CD1' ' HB3' ' A' ' 27' ' ' PRO . 33.9 t90 -93.28 121.76 34.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 110.862 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -124.0 170.33 10.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.04 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.785 ' HB ' ' HB2' ' A' ' 125' ' ' PHE . 3.3 m -104.87 147.44 27.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.837 0.351 . . . . 0.0 111.381 -173.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -83.83 -21.62 32.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.597 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' THR . . . 114.09 47.17 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.727 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.32 116.2 13.17 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.65 145.67 31.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -80.81 146.9 73.2 Favored 'Cis proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.298 -0.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.729 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 16.7 pt20 -107.09 114.06 27.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.259 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 9.4 pt-20 -124.38 158.78 31.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.004 -177.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.541 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 45.8 p90 -155.09 144.77 21.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.577 173.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.782 HG12 ' HG3' ' A' ' 115' ' ' ARG . 57.0 mt -108.9 124.33 65.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.884 0.373 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.02 120.32 54.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 14' ' ' GLU . 16.1 p -110.46 132.91 53.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.927 0.394 . . . . 0.0 110.72 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.482 ' C ' ' H ' ' A' ' 55' ' ' LYS . 74.3 m-85 -82.02 -23.63 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.712 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 70.2 m-70 71.0 -17.73 0.29 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.586 0.754 . . . . 0.0 111.467 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 53' ' ' PHE . 42.7 pttt -125.95 161.31 27.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.33 107.77 16.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.622 HG13 HD23 ' A' ' 6' ' ' LEU . 16.3 m -121.49 160.92 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.981 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -125.52 122.14 35.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -89.64 141.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' OE2' ' HD2' ' A' ' 108' ' ' HIS . 1.5 tp10 -93.78 -50.28 5.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.547 HH11 ' HG3' ' A' ' 61' ' ' ARG . 26.4 ptt85 -161.09 154.4 21.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.913 173.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.7 134.93 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.509 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.536 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 85.6 t -96.06 112.73 28.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.73 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -101.64 102.17 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -152.92 147.03 25.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.4 t80 -128.89 159.32 36.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 73.9 m-85 72.92 -10.79 0.94 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.56 0.744 . . . . 0.0 111.714 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 45.8 t -70.81 137.54 23.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.54 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 24.6 tt0 -113.25 -74.02 0.64 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -95.87 103.64 15.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.756 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 116' ' ' PHE . 22.3 tp -111.76 114.49 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.269 0.557 . . . . 0.0 110.905 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 20.7 ttmm -103.63 120.45 40.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.647 ' HB ' ' HB ' ' A' ' 89' ' ' ILE . 62.5 mt -99.55 107.65 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -99.66 129.11 45.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.82 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HA ' HD22 ' A' ' 114' ' ' LEU . 28.7 ttpp -107.58 139.58 41.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.965 0.412 . . . . 0.0 111.268 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 34.4 t -139.18 140.73 37.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.766 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 p -112.54 17.47 19.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.235 0.541 . . . . 0.0 110.235 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -85.31 156.64 20.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.558 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -82.27 -19.57 39.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.82 0.819 . . . . 0.0 108.87 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB2' HG23 ' A' ' 83' ' ' VAL . 5.7 mm-40 -105.92 157.27 35.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.971 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.59 51.21 1.46 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.967 2.445 . . . . 0.0 112.685 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 81' ' ' GLU . 29.4 m -138.36 173.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.773 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.4 t70 58.0 88.79 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 0.0 110.925 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.63 144.95 41.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.283 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.0 128.63 32.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.645 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -71.79 106.77 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.344 0.593 . . . . 0.0 110.485 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -92.26 -52.32 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.717 -174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.647 ' HB ' ' HB ' ' A' ' 74' ' ' ILE . 61.9 mt -135.57 146.41 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -138.96 121.45 16.15 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -136.07 135.42 39.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.739 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.6 p-10 -104.54 129.67 52.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.68 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 20.2 tp -73.93 142.14 45.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.618 ' HB ' HE22 ' A' ' 101' ' ' GLN . 60.2 t -96.53 124.45 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -74.91 91.67 2.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.104 0.478 . . . . 0.0 110.786 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.9 p -81.31 114.58 20.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 168.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.26 121.51 20.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.335 -172.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.22 -0.29 87.24 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.441 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -129.2 129.41 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.16 116.62 20.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 171.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.618 HE22 ' HB ' ' A' ' 94' ' ' VAL . 34.8 tt0 -83.14 97.11 8.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.287 0.565 . . . . 0.0 111.221 -175.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.98 115.93 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.991 172.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.17 121.52 43.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.762 0.315 . . . . 0.0 111.018 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 7.4 pt-20 -96.62 103.6 15.52 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.882 0.849 . . . . 0.0 109.332 171.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.37 100.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.131 -176.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -75.7 106.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.596 0.713 . . . . 0.0 109.945 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 89' ' ' ILE . . . -147.62 117.93 7.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.467 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.475 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 70.2 m80 -99.29 107.39 19.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.95 164.11 37.6 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.987 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HD2' ' A' ' 76' ' ' LYS . 20.2 m -108.14 143.62 36.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.416 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . . . -158.71 160.17 36.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.9 p -119.57 -34.68 3.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.678 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.464 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 42.2 m-85 -124.6 127.59 47.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.031 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 76' ' ' LYS . 66.9 mt -121.42 124.5 44.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.782 ' HG3' HG12 ' A' ' 50' ' ' ILE . 3.5 ttm-85 -106.51 119.63 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 71.8 m-85 -94.29 102.01 13.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.745 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.483 HG13 ' HD2' ' A' ' 115' ' ' ARG . 4.4 mp -97.38 103.39 14.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.844 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.729 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 50.1 mt -85.84 96.13 4.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.8 -40.72 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.896 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 t -146.74 157.58 43.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 -177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.91 171.66 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -80.9 -16.34 53.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' A' ' 124' ' ' HIS . 5.9 t70 -134.92 -172.09 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.788 -178.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.401 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 86.1 m-70 -74.39 -14.83 60.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.785 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 49.4 p90 -150.6 158.84 44.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.85 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.417 ' HB3' HG23 ' A' ' 69' ' ' VAL . . . -114.5 157.96 22.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -135.06 120.06 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.045 0.45 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.34 136.62 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.74 178.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -98.27 -60.35 1.57 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -148.73 133.63 18.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.278 -176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.73 142.75 41.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.746 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 26.6 p -143.44 136.4 27.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 110.884 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . . . -105.63 102.71 12.15 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -98.03 104.02 16.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.479 0.657 . . . . 0.0 110.635 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -130.63 1.6 Allowed Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.326 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 p -144.55 154.98 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 132.04 39.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.961 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.24 -57.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p -139.51 146.18 39.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.14 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -100.18 179.17 4.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.731 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 54' ' ' HIS . 78.9 mt -66.84 153.26 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.112 0.482 . . . . 0.0 111.358 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.4 t -143.31 110.41 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.69 -0.672 . . . . 0.0 110.793 -178.042 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mmt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.61 ' HA ' HG23 ' A' ' 136' ' ' THR . 12.1 ptm180 -84.08 15.17 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.106 0.479 . . . . 0.0 111.325 -174.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -129.07 91.93 3.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.198 0.523 . . . . 0.0 109.863 171.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 10.5 tt -120.25 121.09 64.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 168.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.44 94.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.138 0.97 . . . . 0.0 110.504 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 14.6 mt -79.12 11.22 2.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.831 -168.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.69 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 39.7 t -94.58 -12.11 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.185 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 61.1 mt -74.07 140.48 45.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 0.0 111.66 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.583 ' HB2' HG13 ' A' ' 31' ' ' ILE . 18.8 t -68.42 -19.42 64.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.523 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -90.52 -9.23 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.545 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.667 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 7.1 tm-20 -89.57 -24.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.187 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.18 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.973 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.0 m -98.68 150.71 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.665 0.269 . . . . 0.0 110.441 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 54' ' ' HIS . 9.6 tp10 -131.53 150.48 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.331 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 p -97.46 136.24 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.191 0.52 . . . . 0.0 110.093 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 50' ' ' ILE . 5.3 tt -135.82 134.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.337 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.593 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.4 tt 69.45 99.7 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.681 0.613 . . . . 0.0 111.005 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.45 119.16 25.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.3 m -56.96 -56.87 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.046 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -98.03 144.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.527 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -158.12 131.26 7.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.995 0.426 . . . . 0.0 110.791 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.821 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 12.2 t70 -101.58 155.16 18.26 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 172.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -78.78 -23.28 45.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.783 0.325 . . . . 0.0 110.894 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -107.08 -2.4 21.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 0.0 110.078 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 32.0 m170 -128.0 76.89 77.25 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.033 172.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 55.5 Cg_endo -88.35 137.58 3.68 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.716 2.278 . . . . 0.0 112.572 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' O ' HG21 ' A' ' 30' ' ' ILE . 16.8 Cg_exo -68.08 -17.58 45.74 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 C-N-CA 123.393 2.728 . . . . 0.0 113.711 -172.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -66.15 -14.48 61.91 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.176 -0.328 . . . . 0.0 111.716 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.12 -2.65 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG23 HG22 ' A' ' 31' ' ' ILE . 8.1 tt -62.49 -35.64 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 111.544 -174.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 25.2 pt -87.93 -18.46 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.298 -172.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -89.77 -15.41 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 0.0 110.545 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 52.86 7.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.144 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -103.33 112.75 65.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.46 -16.84 52.43 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.34 2.693 . . . . 0.0 112.979 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.92 -48.85 80.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.456 . . . . 0.0 110.509 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -116.39 115.48 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.0 142.77 34.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -96.19 113.65 25.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -126.09 138.8 53.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.78 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 43' ' ' GLY . 55.9 m -85.25 132.53 34.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.254 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -77.85 8.67 4.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.275 -175.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' H ' HG23 ' A' ' 41' ' ' THR . . . 102.3 25.47 7.82 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.258 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.61 101.79 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 83.0 m-85 -106.85 138.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.265 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.7 163.74 57.59 Favored 'Cis proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.364 -1.515 . . . . 0.0 112.608 0.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HG2' HG21 ' A' ' 41' ' ' THR . 27.8 mt-30 -107.12 111.73 24.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.359 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.52 125.35 46.6 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.265 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.593 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 30.4 p90 -139.28 140.17 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.883 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.531 ' HB ' HG22 ' A' ' 16' ' ' ILE . 69.8 mt -111.52 135.77 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.44 117.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.85 127.65 51.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 96.4 m-85 -81.15 -20.73 40.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.309 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.436 ' O ' HD21 ' A' ' 141' ' ' LEU . 23.5 m-70 68.68 6.64 5.61 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 139' ' ' SER . 40.1 pttt -154.27 179.7 8.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.14 -171.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 42.6 m-70 -101.49 110.94 23.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG11 ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -123.8 148.82 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 111.676 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.897 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.5 mt -89.6 123.42 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.12 -14.77 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.16 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -170.08 156.06 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.56 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -133.28 136.8 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.665 0.269 . . . . 0.0 110.696 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 46.5 t -103.45 109.0 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.864 175.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 19.3 mm -113.11 103.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -117.32 102.19 9.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 m -140.75 167.24 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -95.3 123.73 38.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.85 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.063 0.852 . . . . 0.0 112.232 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.916 HG13 ' H ' ' A' ' 70' ' ' GLN . 2.9 t 56.33 -160.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.916 ' H ' HG13 ' A' ' 69' ' ' VAL . 35.2 tt0 -174.22 -77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -108.35 103.42 12.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.854 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 ' HD2' ' A' ' 116' ' ' PHE . 27.1 tp -103.41 102.21 12.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.231 0.538 . . . . 0.0 110.246 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HZ1' ' HG2' ' A' ' 87' ' ' GLN . 51.9 tttp -96.92 109.9 22.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.669 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -104.65 117.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.925 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -95.56 142.02 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 176.017 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 78.6 tttt -106.71 134.45 49.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.048 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.484 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 31.3 t -142.1 143.34 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.854 0.359 . . . . 0.0 110.191 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m -128.72 23.44 5.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.592 0.711 . . . . 0.0 109.46 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -77.33 178.07 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.885 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -79.65 -31.1 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 109.724 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.652 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 31.3 mt-10 -119.27 168.94 8.94 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.266 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.652 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 56.6 Cg_endo -70.86 46.46 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.003 2.469 . . . . 0.0 112.598 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.74 160.64 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.156 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 61.55 93.1 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.546 0.689 . . . . 0.0 111.126 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 77.5 m-85 -116.35 167.96 10.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.04 139.34 34.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.558 ' HG2' ' HZ1' ' A' ' 73' ' ' LYS . 18.9 mt-30 -63.28 108.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.352 0.407 . . . . 0.0 110.25 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 18.3 t90 -97.11 -65.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.04 -173.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.7 mt -138.11 108.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.536 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 52.4 mt-10 -106.66 97.09 6.93 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -103.34 161.29 13.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.614 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.13 114.51 27.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.548 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 82.9 mt -103.43 121.99 43.95 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.27 154.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.211 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.498 ' HB2' ' CB ' ' A' ' 122' ' ' PHE . 13.5 t60 -62.69 102.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.273 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 p -113.2 111.74 22.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.515 0.674 . . . . 0.0 111.158 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -104.41 132.68 50.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.79 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.29 9.94 73.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.175 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -140.14 129.12 23.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 110.405 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.68 116.24 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.04 86.08 7.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.218 0.533 . . . . 0.0 109.743 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 96.44 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.862 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 8.6 tp10 -92.14 120.46 32.75 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.29 99.44 9.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.281 0.562 . . . . 0.0 109.791 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 58.8 mt -86.37 106.75 15.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.795 -176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.17 102.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -144.48 153.05 41.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -115.35 126.02 53.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.151 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.68 131.8 2.46 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.819 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.9 m -90.65 108.44 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.47 52.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 111.713 -173.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.6 p -108.09 -27.69 9.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.557 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.428 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.3 m-85 -133.76 128.11 34.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.078 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.3 mt -114.76 129.82 56.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.529 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 64.3 ttt180 -110.85 110.12 20.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.639 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.487 ' HD2' HD13 ' A' ' 72' ' ' LEU . 45.3 m-85 -96.6 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.319 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 48.4 mt -114.23 102.12 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.803 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.6 mt -81.74 94.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.59 -44.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -175.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.47 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 t -159.06 179.35 9.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.251 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -142.16 158.09 44.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.498 ' CB ' ' HB2' ' A' ' 95' ' ' HIS . 63.0 m-85 -74.66 -8.75 57.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.106 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.6 162.84 31.58 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -64.52 -29.14 70.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.702 0.287 . . . . 0.0 111.304 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -112.35 136.84 51.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.218 0.532 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.95 119.39 20.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -120.15 121.46 38.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.67 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.44 HG12 HD13 ' A' ' 30' ' ' ILE . 3.4 p -84.83 116.62 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 171.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -97.55 -28.05 14.13 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.191 -172.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -169.09 120.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.1 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 16.6 m -128.61 144.06 39.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.1 m -150.51 144.1 25.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.574 -178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.81 123.49 48.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -104.6 147.48 27.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.055 0.455 . . . . 0.0 110.473 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.69 -141.97 9.17 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.61 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -149.79 144.35 25.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.856 0.36 . . . . 0.0 111.88 -178.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 140' ' ' ASN . 21.7 t -79.43 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.132 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 39.9 t -94.78 -37.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.553 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 14.6 m -140.29 114.23 8.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.772 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.557 ' HB2' HG12 ' A' ' 137' ' ' VAL . 61.6 t30 -116.17 158.18 23.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 -176.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 141' ' ' LEU . 2.0 mm? -73.78 -56.95 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 0.0 110.03 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.7 p -73.58 103.31 4.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.18 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.41 -177.786 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.434 HH21 ' CD ' ' A' ' 60' ' ' GLU . 37.5 ttt180 -62.7 -20.2 64.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.856 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 6.9 pttp -128.28 81.14 2.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.155 0.978 . . . . 0.0 111.031 175.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 135' ' ' GLY . 6.5 tt -95.28 145.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.359 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.37 96.08 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.453 0.644 . . . . 0.0 110.535 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 16.9 mt -84.52 11.07 9.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.174 -173.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 23.6 p -91.83 -10.01 41.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 98.6 mt -68.3 137.23 54.52 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.379 0.609 . . . . 0.0 111.682 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.614 ' HB3' HD12 ' A' ' 31' ' ' ILE . 11.6 p -63.98 -21.95 66.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.403 171.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -74.87 -12.07 60.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.163 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -95.44 1.53 54.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.94 45.24 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.657 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -98.11 117.38 32.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.824 0.345 . . . . 0.0 110.143 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -103.38 144.44 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.787 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.6 HG11 HG12 ' A' ' 51' ' ' ILE . 14.7 m -89.95 133.27 32.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.814 172.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 17' ' ' LEU . 14.2 tt -131.3 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 16' ' ' ILE . 7.0 tp 72.24 -87.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.226 0.61 . . . . 0.0 110.219 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.75 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.819 0.699 . . . . 0.0 111.846 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -57.86 -26.9 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.5 t -151.94 95.38 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 110.31 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.6 t -94.37 109.23 21.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.694 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 15.5 t70 -95.99 149.27 21.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.104 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -59.1 -41.12 87.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.663 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -107.68 3.81 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.437 0.637 . . . . 0.0 110.605 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 56.6 m-70 -132.87 72.68 76.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -95.38 149.64 1.53 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.99 2.46 . . . . 0.0 113.452 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -75.92 1.88 7.68 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.198 2.599 . . . . 0.0 111.986 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.62 -37.87 89.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.822 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -80.76 2.0 28.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.801 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 129' ' ' HIS . 68.2 mt -79.62 -27.74 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.876 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.614 HD12 ' HB3' ' A' ' 9' ' ' SER . 17.4 pt -108.98 -4.92 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.266 -175.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' OD2' ' HB2' ' A' ' 34' ' ' ASN . 2.0 p-10 -97.66 -26.15 14.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.504 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.39 15.18 81.34 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.914 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 87.4 m-20 -95.12 140.87 22.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.619 0.21 . . . . 0.0 110.756 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 9.1 Cg_exo -72.91 19.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.458 2.772 . . . . 0.0 112.808 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 34' ' ' ASN . 8.2 tp10 -61.75 -68.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 110.812 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.643 HG21 ' H ' ' A' ' 38' ' ' PHE . 5.1 m -138.8 176.85 8.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.437 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.643 ' H ' HG21 ' A' ' 37' ' ' THR . 43.3 p90 -141.37 155.43 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.704 0.288 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.509 ' HE3' HG13 ' A' ' 128' ' ' VAL . 61.9 t90 -90.8 109.88 21.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 11.4 t -109.24 144.46 37.33 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.464 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 8.8 p -76.36 146.24 38.91 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.024 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -8.79 57.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.551 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.39 15.88 28.74 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.117 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.2 ttt -105.72 74.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.99 144.39 92.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.02 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.62 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 87.9 Cg_endo -88.47 152.19 33.62 Favored 'Cis proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.79 -0.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 53.0 mt-30 -128.5 131.33 48.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.33 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.5 166.47 17.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.55 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.49 150.8 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.651 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.406 ' HB ' HG21 ' A' ' 16' ' ' ILE . 62.5 mt -118.19 137.67 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 -176.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.6 HG12 HG11 ' A' ' 15' ' ' VAL . 64.6 mt -121.13 130.89 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -108.55 124.02 49.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.504 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 96.3 m-85 -75.04 -16.6 60.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 72.73 2.03 4.21 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.101 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -159.7 168.84 25.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.917 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -84.86 108.14 17.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 110.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 m -114.59 151.0 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.737 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.508 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 30.0 ttm180 -99.23 114.88 27.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.0 mt -89.59 125.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.153 0.502 . . . . 0.0 110.043 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' CD ' HH21 ' A' ' 2' ' ' ARG . 3.4 tp10 -102.15 -36.03 8.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.887 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.735 ' HD2' ' HB3' ' A' ' 104' ' ' GLU . 45.7 ttp180 -163.39 149.57 11.87 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.331 -176.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.37 121.53 41.35 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.85 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.588 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 87.3 t -91.36 100.33 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.566 HG22 HG11 ' A' ' 131' ' ' VAL . 31.0 mm -94.27 109.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.583 ' HG2' ' HB3' ' A' ' 102' ' ' ASN . 44.8 mt-30 -95.79 102.16 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.852 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 m -144.4 166.33 25.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.072 0.463 . . . . 0.0 111.002 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -135.32 117.2 15.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 57.45 87.16 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.89 0.744 . . . . 0.0 112.793 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.607 HG13 ' H ' ' A' ' 70' ' ' GLN . 1.4 t -118.67 -165.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.607 ' H ' HG13 ' A' ' 69' ' ' VAL . 43.1 tt0 -163.37 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 16.6 m -85.25 94.26 8.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.427 0.632 . . . . 0.0 109.988 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.452 HD11 ' HD2' ' A' ' 116' ' ' PHE . 15.7 tp -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.751 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.713 ' HG3' ' HB3' ' A' ' 90' ' ' GLU . 62.1 tttm -99.45 109.47 22.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.75 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.6 mt -97.6 113.62 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.95 0.405 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.556 ' CB ' ' HB3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -95.77 142.44 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.864 177.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -125.83 139.82 53.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.508 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.43 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 22.8 t -141.42 143.85 34.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.862 0.363 . . . . 0.0 110.358 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -110.68 14.44 22.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.563 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 t -84.6 167.84 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.527 ' HB3' ' HZ3' ' A' ' 80' ' ' LYS . 8.2 mtpm? -87.09 -14.47 41.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 109.943 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.17 150.18 36.48 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.995 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.08 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.586 2.191 . . . . 0.0 112.431 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.98 160.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.8 t70 64.43 101.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.135 0.897 . . . . 0.0 111.282 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 94.4 m-85 -127.24 144.43 51.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.369 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.48 119.46 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.201 0.524 . . . . 0.0 109.653 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -97.55 -69.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.634 HG21 ' HD3' ' A' ' 91' ' ' LYS . 4.6 mt -137.63 97.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.977 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.713 ' HB3' ' HG3' ' A' ' 73' ' ' LYS . 9.0 pt-20 -104.9 108.39 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 174.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.634 ' HD3' HG21 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -155.44 160.56 40.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.719 -173.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.564 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 6.2 p-10 -118.24 95.99 5.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.654 0.74 . . . . 0.0 110.926 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -126.15 94.08 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.884 178.418 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.529 HG22 ' C ' ' A' ' 69' ' ' VAL . 59.5 t -136.72 98.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.139 0.495 . . . . 0.0 111.235 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -111.87 90.78 3.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.135 171.218 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 101' ' ' GLN . 50.8 p -131.87 109.23 9.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.15 100.47 10.06 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.732 168.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.11 36.83 62.13 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.519 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -140.14 136.41 33.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.998 0.399 . . . . 0.0 111.658 -169.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.94 101.84 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 96' ' ' THR . 26.1 tp60 -95.48 110.24 22.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 111.173 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.583 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -94.93 99.7 11.69 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 166.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.1 135.12 34.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.593 -169.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.735 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 43.5 mt-10 -94.62 99.61 11.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.72 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.57 103.83 13.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.884 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.16 96.49 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.043 0.449 . . . . 0.0 110.13 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.41 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -98.93 125.86 44.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.387 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 136.47 4.15 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.924 176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 p -92.65 132.86 36.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.42 158.64 40.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.191 0.519 . . . . 0.0 112.098 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.2 p -117.78 -34.25 4.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.515 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -126.03 128.27 47.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.164 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.504 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 28.2 mt -114.82 130.96 56.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 173.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.556 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 63.3 ttt180 -113.49 104.72 12.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.452 ' HD2' HD11 ' A' ' 72' ' ' LEU . 56.8 m-85 -90.62 103.88 16.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.781 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.567 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.4 mt -99.81 106.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.291 178.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.49 101.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.62 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 47.4 t -73.14 -57.26 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.589 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -138.16 167.23 22.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.05 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.84 160.23 40.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.409 ' HE1' ' HG3' ' A' ' 70' ' ' GLN . 3.6 m-30 -60.38 -30.04 69.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.992 0.425 . . . . 0.0 110.796 177.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 124' ' ' HIS . 10.8 t70 -122.65 -175.7 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.828 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.405 ' H ' ' CG ' ' A' ' 123' ' ' ASP . 70.6 t60 -80.55 -22.32 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.849 0.356 . . . . 0.0 110.451 -177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.27 122.33 44.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.981 0.42 . . . . 0.0 110.839 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.06 116.79 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 14.9 m -112.12 137.08 50.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.894 -175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.509 HG13 ' HE3' ' A' ' 39' ' ' TRP . 14.7 p -126.91 139.75 50.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 0.0 110.117 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 16.6 t-80 -97.84 -56.62 2.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.412 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 47.5 t -164.55 127.89 2.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.716 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.566 HG11 HG22 ' A' ' 64' ' ' ILE . 7.0 m -98.28 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.332 0.587 . . . . 0.0 109.441 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.594 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 48.9 m -90.64 132.35 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.589 -172.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.53 114.39 28.53 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 46.6 mt-10 -93.98 130.76 39.97 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.508 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.59 -162.16 35.95 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.18 148.74 48.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 117.17 0.485 . . . . 0.0 109.969 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.51 134.99 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.34 -51.17 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.496 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -152.43 126.18 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -80.13 127.39 32.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.471 HD12 ' HE2' ' A' ' 80' ' ' LYS . 7.7 tt -79.26 92.84 5.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.428 0.632 . . . . 0.0 109.833 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 p -102.21 19.29 18.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.302 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.312 179.256 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.554 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 22.4 ptp . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HA ' ' CG2' ' A' ' 136' ' ' THR . 7.8 ptm180 -80.05 0.64 30.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.616 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.554 ' H ' ' HG3' ' A' ' 1' ' ' MET . 27.5 mtpp -125.28 105.61 9.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.07 0.462 . . . . 0.0 110.375 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 10.4 tt -155.45 131.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.404 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 132' ' ' SER . 19.7 m-20 -74.62 98.04 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.402 0.62 . . . . 0.0 109.992 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.597 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 50.0 mt -79.84 -1.31 38.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.886 -171.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 99.3 m -91.8 -3.48 56.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.669 0.271 . . . . 0.0 111.276 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.646 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 63.1 mt -68.64 148.03 51.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 111.886 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -62.51 -25.15 67.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.667 172.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -69.85 -20.41 63.42 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.423 0.63 . . . . 0.0 110.025 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.597 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 29.3 mm-40 -90.41 -3.89 57.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.936 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.62 4.9 82.47 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 m -83.61 119.6 24.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HA ' HD13 ' A' ' 31' ' ' ILE . 45.5 mt-10 -110.13 155.2 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -93.79 137.31 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.868 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.537 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.1 tt -141.56 131.16 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.542 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 69.78 100.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.604 175.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.81 131.43 46.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.245 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.642 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 18.5 m -72.09 -34.62 68.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 0.0 111.043 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -113.76 131.19 56.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 m -145.02 136.92 25.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.68 148.45 49.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.122 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.81 -25.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 111.177 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -94.52 -23.18 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.417 0.627 . . . . 0.0 109.683 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.15 78.06 59.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.195 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 5.9 Cg_exo -77.73 129.35 9.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.985 2.457 . . . . 0.0 112.705 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 11.1 Cg_exo -70.88 -5.8 17.71 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.185 2.59 . . . . 0.0 111.844 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.04 -29.71 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.631 ' HB2' HG23 ' A' ' 37' ' ' THR . 47.7 m-80 -95.7 1.78 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.899 -174.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 tt -63.7 -28.59 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 110.695 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 20.3 pt -86.6 -16.75 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.88 -20.08 39.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.724 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.1 47.04 86.07 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.237 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.36 117.32 67.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.22 . . . . 0.0 110.476 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.13 -16.56 55.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.872 2.381 . . . . 0.0 112.752 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -88.12 -2.44 58.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 29' ' ' ASN . 38.5 m -117.95 115.67 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -120.45 126.83 51.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.713 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HE3' HG13 ' A' ' 128' ' ' VAL . 72.3 t90 -97.02 132.35 42.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.162 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 t -127.13 156.04 42.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.621 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.507 HG23 HE21 ' A' ' 47' ' ' GLN . 62.3 p -84.29 149.46 26.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 p -91.4 16.63 9.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.045 0.45 . . . . 0.0 111.023 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.12 -1.76 88.43 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.261 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.1 ttt -92.33 95.7 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 97.3 m-85 -106.82 154.79 39.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.666 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 43.5 Cg_endo -68.07 154.64 88.13 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.814 -1.328 . . . . 0.0 112.897 1.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.642 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 6.8 tp-100 -110.44 111.98 23.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.304 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.5 pt-20 -118.19 140.04 50.39 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.965 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 41.5 p90 -150.09 139.62 21.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.562 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.537 ' HB ' HG23 ' A' ' 16' ' ' ILE . 53.5 mt -109.56 134.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 111.048 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.6 mt -113.77 121.66 66.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.77 118.78 37.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 111.465 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -72.13 -27.39 62.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.532 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 68.56 6.44 5.44 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.442 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.897 ' HB2' ' HA ' ' A' ' 140' ' ' ASN . 58.8 pttt -150.1 173.72 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.864 0.364 . . . . 0.0 111.251 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -90.03 105.62 17.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.701 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.565 ' HB ' HD12 ' A' ' 6' ' ' LEU . 26.7 m -124.66 142.57 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.632 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -102.95 115.73 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 93.3 mt -89.73 136.79 22.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.034 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' CE1' ' A' ' 108' ' ' HIS . 5.8 tm-20 -113.73 -30.9 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -154.7 146.78 23.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.929 -172.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.625 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 79.1 mt -113.37 126.51 55.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.8 t -104.8 98.55 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.698 HG22 HG22 ' A' ' 131' ' ' VAL . 14.4 mt -116.63 121.74 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 0.0 111.52 -174.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' OE1' HD11 ' A' ' 100' ' ' LEU . 8.8 tt0 -111.68 102.36 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.951 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.881 ' HB3' HG23 ' A' ' 128' ' ' VAL . 29.9 p -160.27 147.51 16.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.394 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.64 ' HE2' HD23 ' A' ' 100' ' ' LEU . 2.1 m-85 -125.78 158.95 33.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.664 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.611 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 66.5 m-85 72.37 -2.68 2.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.202 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.44 127.43 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -104.09 -72.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.785 0.326 . . . . 0.0 111.046 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 103.1 12.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 111.045 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 116' ' ' PHE . 36.3 tp -117.37 102.12 8.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.737 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.624 ' CG ' ' HB ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -89.95 120.54 31.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 109.741 179.006 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 89' ' ' ILE . 26.5 mt -93.26 117.34 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.912 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.464 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 29.5 tt0 -111.6 135.97 51.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.105 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.1 ptpp? -106.76 153.77 21.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.408 . . . . 0.0 111.503 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.754 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.3 t -143.16 142.15 31.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 169.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 21.34 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.393 0.616 . . . . 0.0 110.165 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.3 t -92.28 179.98 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.8 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 11.8 ptmm? -95.01 -14.6 24.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 0.0 110.224 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 10.2 mp0 -102.71 156.0 35.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.582 173.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.28 46.24 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.72 2.28 . . . . 0.0 112.192 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.73 -177.99 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.39 77.14 0.23 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.485 0.659 . . . . 0.0 110.311 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 25.3 m-85 -106.51 131.54 53.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.362 -176.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 33.7 tt0 -119.46 119.33 33.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.128 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -57.16 132.17 52.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.413 . . . . 0.0 110.426 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -102.4 -71.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.746 HG13 HD11 ' A' ' 74' ' ' ILE . 4.7 pt -144.47 125.05 8.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.707 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 42.9 tt0 -94.88 109.11 21.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.698 ' HG3' HD11 ' A' ' 105' ' ' ILE . 19.5 mmmt -100.57 119.22 38.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.319 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.61 112.49 24.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.883 172.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.83 144.26 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -91.81 148.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.33 134.55 34.81 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.936 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.83 123.05 39.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.512 168.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.82 121.18 41.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.913 -171.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.25 -27.58 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.121 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -100.38 135.54 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.64 HD23 ' HE2' ' A' ' 67' ' ' TYR . 2.4 tm? -100.99 112.8 25.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.83 0.347 . . . . 0.0 110.099 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -129.21 145.33 51.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -99.71 142.01 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -92.3 110.56 21.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.191 0.519 . . . . 0.0 109.776 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -88.24 108.56 19.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.624 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.698 HD11 ' HG3' ' A' ' 91' ' ' LYS . 61.9 mt -102.51 109.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.886 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.24 106.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.456 0.646 . . . . 0.0 110.077 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.22 109.54 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.461 -171.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.559 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 15.6 m-70 -103.28 110.21 22.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.22 157.69 30.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.741 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.9 m -104.56 123.39 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.95 149.0 32.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.5 p -106.13 -30.25 9.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.889 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.754 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 48.3 m-85 -127.38 129.39 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.65 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.3 mt -122.03 120.01 33.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.575 0.226 . . . . 0.0 110.567 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -106.76 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.935 0.398 . . . . 0.0 110.451 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.609 ' HB3' HD13 ' A' ' 72' ' ' LEU . 86.8 m-85 -89.79 117.05 28.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.653 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.624 ' HB ' ' CG ' ' A' ' 73' ' ' LYS . 55.9 mt -113.78 102.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.892 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 58.8 mt -86.08 111.58 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -77.54 -54.66 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.441 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -139.02 163.96 31.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 68' ' ' PHE . . . -129.89 170.73 13.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.203 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.611 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 70.4 m-85 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.191 0.519 . . . . 0.0 109.631 176.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -120.54 -172.37 2.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -93.4 -7.14 45.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 110.294 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.65 122.18 34.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.491 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.48 155.76 34.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.952 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 m -142.85 141.15 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.881 HG23 ' HB3' ' A' ' 66' ' ' SER . 7.7 p -116.97 141.74 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -106.53 -32.69 7.96 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.877 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -168.19 136.5 2.29 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.778 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.698 HG22 HG22 ' A' ' 64' ' ' ILE . 82.4 t -134.81 113.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.507 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 48.8 p -130.54 151.33 51.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.893 0.377 . . . . 0.0 110.989 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -115.88 116.69 28.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 38.2 mt-10 -94.09 153.3 18.2 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.212 0.529 . . . . 0.0 110.546 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.25 -139.34 6.49 Favored Glycine 0 N--CA 1.437 -1.25 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.536 ' CG2' ' HA ' ' A' ' 2' ' ' ARG . 18.3 p -142.16 126.8 17.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.961 0.41 . . . . 0.0 111.055 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.37 131.85 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.972 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.21 -52.16 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.977 0.418 . . . . 0.0 110.554 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.2 m -154.66 169.45 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.897 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 3.2 m-20 -96.88 -88.66 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.909 0.385 . . . . 0.0 110.8 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.76 176.56 5.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.921 0.391 . . . . 0.0 110.786 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 23.0 t -145.62 103.6 3.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.543 -0.742 . . . . 0.0 110.507 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.414 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 16.0 ptt180 -80.77 20.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -177.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -138.87 132.8 31.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 0.0 110.895 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.45 HG23 ' HG ' ' A' ' 6' ' ' LEU . 8.6 tt -155.56 150.36 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.94 86.33 2.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 110.352 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.556 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 45.1 mt -77.0 -4.13 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.076 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 132' ' ' SER . 20.1 t -94.61 -3.11 50.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 71.3 mt -73.53 142.98 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 0.0 110.891 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.471 ' HB2' HD11 ' A' ' 31' ' ' ILE . 15.7 t -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -81.42 -11.38 59.27 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.279 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.42 25.51 7.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.268 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -126.01 120.31 29.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.53 164.61 15.04 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG11 HG12 ' A' ' 51' ' ' ILE . 20.9 m -89.96 134.39 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 110.319 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 ' HB ' ' A' ' 50' ' ' ILE . 10.2 tt -129.94 133.55 64.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.144 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 65.65 91.77 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.26 133.27 56.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.792 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.411 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 30.9 m -62.07 -41.9 98.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.444 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -128.48 139.67 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 110.694 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -149.0 135.46 19.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.728 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -121.75 158.98 27.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -86.39 -20.22 28.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.229 0.538 . . . . 0.0 109.996 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -88.17 -20.98 24.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.708 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -131.32 84.79 55.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.482 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.5 Cg_endo -85.01 140.33 7.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.081 2.521 . . . . 0.0 112.548 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 32.1 Cg_exo -60.99 -14.7 34.55 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.31 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.97 -31.45 65.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.006 0.431 . . . . 0.0 110.36 174.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.93 -43.37 77.32 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.421 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.9 mt -64.64 -54.91 24.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.616 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.3 pt -84.74 -5.97 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.32 -18.86 18.11 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.575 173.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 49.14 6.39 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.607 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.8 OUTLIER -95.48 120.56 63.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.759 -177.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.669 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 5.7 Cg_exo -80.59 17.3 1.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.994 2.463 . . . . 0.0 112.421 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -81.62 -70.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -109.93 -170.71 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.33 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -143.86 153.19 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.438 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.576 ' HE3' HG11 ' A' ' 128' ' ' VAL . 88.9 t90 -92.16 121.98 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 t -122.16 157.32 31.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.997 0.427 . . . . 0.0 110.839 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.739 HG22 ' HG3' ' A' ' 47' ' ' GLN . 39.4 p -78.53 136.17 37.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.598 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -78.0 -8.01 57.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.699 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.48 -14.64 35.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.815 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.2 tpt -91.29 104.42 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.695 0.283 . . . . 0.0 110.279 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -95.75 156.31 37.49 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.421 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.796 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.0 Cg_endo -82.92 171.5 52.15 Favored 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.6 -1.417 . . . . 0.0 112.003 -1.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.739 ' HG3' HG22 ' A' ' 41' ' ' THR . 83.1 mm-40 -107.03 111.3 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.225 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.0 136.37 53.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 35.6 p90 -149.86 133.83 17.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.066 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.464 ' HB ' HG22 ' A' ' 16' ' ' ILE . 57.0 mt -100.13 142.07 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.021 -177.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 HG12 HG11 ' A' ' 15' ' ' VAL . 36.3 mt -117.59 118.98 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 p -101.35 119.84 39.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.69 ' HE2' ' HB2' ' A' ' 114' ' ' LEU . 88.0 m-85 -85.2 -20.43 30.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 44.6 m-70 72.53 -17.15 0.4 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.142 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -136.91 -179.82 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 0.0 110.993 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -88.16 108.56 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HB ' HD11 ' A' ' 6' ' ' LEU . 28.8 m -114.76 143.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.156 0.503 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.642 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 3.0 tpt180 -92.56 105.76 17.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 69.1 mt -89.91 129.29 41.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' OE1' ' HD2' ' A' ' 2' ' ' ARG . 20.3 tt0 -123.57 -35.54 2.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.845 0.355 . . . . 0.0 110.577 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -140.16 148.17 41.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.605 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.8 mp -112.68 116.42 30.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.975 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.26 110.72 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.397 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 mm -112.2 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.321 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -105.84 102.23 11.69 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.498 ' HB3' HG21 ' A' ' 128' ' ' VAL . 14.9 p -154.38 177.36 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.92 -177.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.676 ' HD2' HD22 ' A' ' 100' ' ' LEU . 2.4 t80 -129.22 145.86 51.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.784 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 67.56 -100.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.334 0.653 . . . . 0.0 111.592 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.888 HG13 ' H ' ' A' ' 70' ' ' GLN . 3.1 t 55.89 -168.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.849 -174.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.888 ' H ' HG13 ' A' ' 69' ' ' VAL . 6.4 tt0 -170.11 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -109.62 102.99 11.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.146 0.498 . . . . 0.0 111.361 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.9 tp -114.16 109.86 19.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.617 ' HE3' HD12 ' A' ' 117' ' ' ILE . 41.2 pttt -102.14 142.63 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 0.0 109.943 176.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.925 HD12 HG13 ' A' ' 89' ' ' ILE . 39.9 mt -113.45 119.77 61.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.852 -176.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 1.001 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 51.0 mt-10 -105.94 132.59 51.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.504 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -114.53 143.73 44.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.208 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -143.05 141.79 31.39 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -107.81 11.43 28.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.908 0.385 . . . . 0.0 111.394 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.4 p -86.73 178.68 6.95 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.761 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.28 7.21 46.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 108.918 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HB2' HG21 ' A' ' 83' ' ' VAL . 24.3 mt-10 -119.28 156.47 52.79 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.527 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.86 42.87 1.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.651 2.234 . . . . 0.0 112.191 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 81' ' ' GLU . 26.7 m -126.17 148.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 111.726 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t70 58.36 92.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.026 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 1.001 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 79.2 m-85 -113.78 122.07 45.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.58 134.09 36.22 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.483 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.67 106.55 2.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.094 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -75.79 -67.83 0.63 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.104 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.925 HG13 HD12 ' A' ' 74' ' ' ILE . 5.1 pt -140.93 143.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.91 111.69 19.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -114.03 120.38 40.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 4.7 p-10 -97.89 132.76 43.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.77 145.01 25.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.229 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.33 122.44 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -62.85 139.93 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.453 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.632 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 2.2 p -117.81 112.6 20.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 172.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.73 103.23 12.86 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.986 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.37 -1.54 53.82 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.189 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.632 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 23.0 mt-30 -122.26 118.53 28.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.676 HD22 ' HD2' ' A' ' 67' ' ' TYR . 3.5 tm? -89.0 116.6 27.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 173.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -107.28 141.07 39.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.44 0.638 . . . . 0.0 112.139 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -102.43 102.22 12.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 165.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.23 143.06 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.035 0.445 . . . . 0.0 111.233 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.76 108.46 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.351 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 70.2 mt -91.57 113.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.994 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.99 105.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.345 0.593 . . . . 0.0 111.197 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.13 120.78 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.908 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.655 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.4 p80 -107.82 121.97 45.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.368 0.604 . . . . 0.0 110.758 -177.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.0 -174.09 35.89 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.651 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -126.19 129.32 48.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.56 121.31 9.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 m -78.03 -31.8 50.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.729 0.776 . . . . 0.0 109.13 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -124.45 124.63 42.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.274 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.69 ' HB2' ' HE2' ' A' ' 53' ' ' PHE . 1.8 tm? -114.7 108.99 17.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -106.39 112.88 26.08 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 111.586 -171.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -90.77 134.34 34.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.36 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.617 HD12 ' HE3' ' A' ' 73' ' ' LYS . 58.6 mt -130.68 106.44 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 111.137 176.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.4 101.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.796 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 45.7 t -67.8 -49.87 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.616 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 t -154.33 169.13 24.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.843 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.12 30.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.001 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -64.28 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.87 170.85 7.66 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.98 -16.28 55.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.09 0.471 . . . . 0.0 110.158 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -118.29 122.42 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.324 0.583 . . . . 0.0 110.949 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.68 148.1 38.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.025 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -141.48 133.77 28.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.576 HG11 ' HE3' ' A' ' 39' ' ' TRP . 9.6 p -113.49 148.87 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.494 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.669 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 1.9 t-80 -106.31 -46.17 4.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.924 0.392 . . . . 0.0 110.349 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -171.05 152.71 3.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.77 146.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.433 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 64.7 m -136.44 145.04 44.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.27 117.18 33.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -93.93 135.3 35.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.642 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 163.59 -147.81 13.72 Favored Glycine 0 N--CA 1.437 -1.234 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.7 p -138.47 139.55 38.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.504 0.192 . . . . 0.0 110.604 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.0 120.7 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 0.0 110.162 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.5 t -77.94 -51.88 17.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 0.0 110.381 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.3 p -163.64 164.26 24.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.154 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -91.36 -153.6 0.33 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.87 91.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 171.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.0 m -81.97 94.14 7.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.681 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.754 178.741 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 2' ' ' ARG . 68.9 mtt180 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 53.15 70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.3 0.572 . . . . 0.0 111.688 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.7 tt -103.25 158.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.252 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.61 ' HB3' HD13 ' A' ' 8' ' ' LEU . 57.6 m-20 -71.42 89.89 0.95 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.28 0.562 . . . . 0.0 111.069 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 26.0 mt -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.951 -172.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 31' ' ' ILE . 36.7 t -92.47 -4.06 54.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -168.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 5' ' ' ASP . 9.2 mp -91.38 158.26 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -174.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 31' ' ' ILE . 26.9 t -74.21 -21.3 59.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.437 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m -63.47 -24.54 67.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.677 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -99.5 7.7 45.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.806 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.73 30.82 34.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.179 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -118.47 116.02 25.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.853 0.326 . . . . 0.0 110.178 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -109.05 175.46 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.948 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.58 147.6 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 111.272 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.728 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.7 tt -145.09 163.22 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.666 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' HG12 ' A' ' 16' ' ' ILE . 1.0 OUTLIER 67.24 24.54 9.11 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.691 0.397 . . . . 0.0 112.006 169.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.12 106.49 2.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.786 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -56.34 -53.16 60.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.178 0.513 . . . . 0.0 110.812 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 45.0 t -108.84 105.2 14.66 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -125.12 117.82 24.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.125 0.488 . . . . 0.0 110.566 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 9.4 t0 -93.55 146.89 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.257 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.08 -22.84 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.784 -176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -102.92 -18.62 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.236 0.541 . . . . 0.0 110.204 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 57.4 m80 -111.04 74.61 1.01 Allowed Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.22 126.41 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.626 2.217 . . . . 0.0 113.614 -166.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.66 -16.48 19.39 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.361 2.707 . . . . 0.0 112.651 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.43 -22.83 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.611 0.243 . . . . 0.0 110.762 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 3.3 p30 -66.22 -27.44 67.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.68 -39.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 110.483 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 9' ' ' SER . 13.9 pt -96.83 11.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.518 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.0 t70 -104.98 -59.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.262 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.19 31.2 6.29 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.988 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -97.22 122.84 54.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 117.342 0.571 . . . . 0.0 110.359 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.13 -31.3 92.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.448 2.765 . . . . 0.0 113.623 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.96 -16.48 63.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 p -115.72 146.68 41.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.839 0.352 . . . . 0.0 111.561 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -154.13 161.24 42.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.796 ' HE3' HG12 ' A' ' 128' ' ' VAL . 77.4 t90 -100.08 121.59 41.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 t -125.4 147.72 49.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.71 146.57 37.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 -176.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.5 p -88.47 3.5 49.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 110.41 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.49 0.83 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.013 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.563 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 1.4 mpt? -112.43 96.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.807 -0.231 . . . . 0.0 110.853 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -106.99 128.66 25.65 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.14 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.783 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.7 Cg_exo -76.67 164.26 87.88 Favored 'Cis proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.488 -1.463 . . . . 0.0 112.043 -1.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.618 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 8.3 pt20 -117.76 113.76 22.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.29 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.9 pt-20 -124.8 153.55 42.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 111.156 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.82 155.44 25.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 16' ' ' ILE . 56.0 mt -113.19 140.35 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.934 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -109.21 118.39 56.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -93.8 109.38 21.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 91.9 m-85 -72.91 -29.03 62.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.015 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 65.99 13.11 8.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.564 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.5 pttm -158.26 163.67 37.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.105 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -88.25 107.47 18.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 55' ' ' LYS . 27.2 m -114.59 149.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 0.0 OUTLIER -101.9 107.74 19.0 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.93 127.47 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.387 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.26 -28.52 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.212 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.734 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 64.1 mtt180 -144.96 154.92 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.097 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.9 mp -118.53 113.97 22.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.9 107.57 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 131' ' ' VAL . 48.9 mt -119.07 118.28 57.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -113.5 102.2 10.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -140.53 170.96 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.749 0.309 . . . . 0.0 111.189 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -122.58 153.88 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 73.38 -23.55 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 167.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.04 135.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 122.8 0.44 . . . . 0.0 112.186 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -113.87 -68.37 0.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 p -106.14 108.99 20.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.032 0.444 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 tp -107.71 103.3 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.624 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 31.0 tttp -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.838 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.58 ' HB ' HG13 ' A' ' 89' ' ' ILE . 58.1 mt -93.12 116.76 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 35.1 tt0 -117.0 142.9 46.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 11.3 ptmm? -122.5 154.97 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 111.914 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 44.4 t -140.71 140.82 34.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.928 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -121.32 25.41 9.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.51 0.672 . . . . 0.0 109.562 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -84.16 -171.49 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.208 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.845 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 20.3 ptmt -102.88 -15.54 16.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.841 176.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.845 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 38.4 mt-10 -119.17 165.18 17.84 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -70.1 46.11 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.294 2.663 . . . . 0.0 112.277 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.1 m -143.45 -178.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 122.905 0.482 . . . . 0.0 110.117 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.9 t0 57.25 84.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.387 0.613 . . . . 0.0 111.552 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 68.3 m-85 -116.82 166.98 11.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.33 134.93 34.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.309 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -64.95 118.08 8.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.455 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 8.1 t90 -96.16 -68.93 0.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 74' ' ' ILE . 2.2 pt -144.82 95.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.297 0.57 . . . . 0.0 111.323 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.14 103.65 16.25 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -122.01 147.6 45.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.876 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.6 145.38 26.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.488 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 94' ' ' VAL . 5.1 tt -112.14 147.01 37.03 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' O ' HD23 ' A' ' 93' ' ' LEU . 68.0 t -81.47 132.66 30.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -57.05 106.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 101' ' ' GLN . 33.7 p -98.28 110.67 23.21 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.865 0.841 . . . . 0.0 112.058 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.58 101.18 10.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.667 -1.152 . . . . 0.0 110.111 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.94 21.71 78.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.223 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -125.52 117.81 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.023 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 100' ' ' LEU . 26.6 mt -74.62 97.63 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 175.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.673 ' HB2' HG21 ' A' ' 96' ' ' THR . 55.3 tp60 -93.62 103.55 15.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.83 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -83.37 112.15 19.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.38 110.15 21.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.446 0.641 . . . . 0.0 111.2 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.25 94.29 8.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.177 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 67.5 mt -95.28 110.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 m -82.45 87.67 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.783 0.801 . . . . 0.0 110.512 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -124.71 122.81 38.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.292 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -109.28 110.55 21.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.355 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.11 160.42 34.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.79 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.4 m -100.88 135.06 42.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.85 43.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.195 0.521 . . . . 0.0 111.842 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.5 p -118.41 -28.61 5.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.856 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.545 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 80.3 m-85 -137.01 142.62 42.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.814 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 82.6 mt -129.13 130.73 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.512 ' HG3' HG12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -110.93 108.9 18.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.192 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 32.7 m-85 -88.95 109.75 20.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.079 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.785 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.2 mt -105.67 97.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.315 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.618 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 30.9 mt -85.1 96.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.783 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 36.1 t -65.94 -51.27 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.989 -173.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.2 m -146.2 164.12 33.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.464 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.97 165.83 25.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.397 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.61 -21.24 61.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 109.949 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.12 151.82 37.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.032 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -78.45 11.56 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.074 0.464 . . . . 0.0 111.445 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -133.42 122.39 23.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.0 134.18 55.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 11.6 p -132.14 125.83 32.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.395 0.616 . . . . 0.0 111.63 -176.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.796 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -97.15 131.89 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -104.36 -40.27 6.15 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.79 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -156.16 131.48 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.638 0.256 . . . . 0.0 110.623 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 64' ' ' ILE . 18.1 m -136.41 140.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.482 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 22.7 t -149.87 147.08 27.52 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.62 125.91 51.53 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 64.3 mt-10 -94.09 107.67 19.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.336 0.589 . . . . 0.0 110.404 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -174.73 -147.52 6.19 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.26 156.01 42.56 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 117.54 0.67 . . . . 0.0 110.846 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 57' ' ' VAL . 24.0 m -75.54 130.41 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.31 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.97 -41.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 110.421 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -178.711 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.604 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.9 ptp85 . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HA ' ' HB3' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -145.25 68.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.685 -0.806 . . . . 0.0 112.827 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tt -101.99 136.37 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -70.43 96.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.479 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.81 -8.02 59.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.941 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.0 m -92.97 -3.69 54.02 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.58 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 66.8 mt -65.93 137.23 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.166 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' SER . 16.8 m -66.31 -15.9 63.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.849 174.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -73.66 -23.9 59.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.583 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.8 -7.6 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.527 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.64 6.71 54.51 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.327 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' SER . 20.4 m -86.84 121.82 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.569 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -116.2 157.37 24.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -93.15 143.01 12.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.198 0.523 . . . . 0.0 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 50' ' ' ILE . 8.2 tt -139.6 130.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.468 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.2 tt 70.34 90.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.671 0.607 . . . . 0.0 110.38 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.6 130.02 54.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.2 m -53.58 -55.31 26.82 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -117.98 145.39 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -145.56 132.05 19.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.714 0.292 . . . . 0.0 110.326 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -116.46 154.53 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.356 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.68 -40.78 69.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.168 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.57 -33.49 31.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.977 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -129.92 81.52 68.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.907 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 Cg_endo -73.56 155.65 49.95 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.51 2.14 . . . . 0.0 111.854 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.58 -9.51 18.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.048 2.499 . . . . 0.0 112.922 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.02 -14.0 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 0.0 110.23 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.492 ' OD1' ' HD2' ' A' ' 26' ' ' PRO . 10.7 m120 -86.1 -1.66 57.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.292 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 130' ' ' SER . 67.3 mt -69.99 -23.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.729 0.776 . . . . 0.0 109.109 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 40.2 mt -107.96 -87.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.075 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 20.6 t70 69.27 -46.14 0.57 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.901 0.88 . . . . 0.0 113.101 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.57 -6.44 33.58 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 93.3 m-20 -121.17 113.16 32.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' OG ' ' A' ' 130' ' ' SER . 16.8 Cg_exo -68.2 -6.62 17.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.177 2.584 . . . . 0.0 112.095 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.28 -17.56 61.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.569 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 159.74 15.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.177 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -153.9 158.79 41.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.838 0.351 . . . . 0.0 111.472 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' HE3' HG12 ' A' ' 128' ' ' VAL . 33.2 t90 -125.38 148.17 48.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.05 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 126' ' ' ALA . 7.9 t -136.97 147.51 46.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.816 0.341 . . . . 0.0 110.472 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -76.83 151.61 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 p -89.52 36.36 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 111.371 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.6 25.23 54.36 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.037 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 88.4 mtp -112.43 108.39 17.51 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -106.7 146.58 33.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.626 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -84.3 178.43 26.47 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.325 -1.531 . . . . 0.0 112.029 -1.608 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.464 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 1.0 OUTLIER -107.24 111.72 24.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.651 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.99 128.14 56.1 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.873 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 33.4 p90 -147.39 134.84 20.79 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.36 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 114' ' ' LEU . 67.1 mt -109.27 135.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -110.91 121.77 64.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 47.9 t -97.7 117.03 31.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.283 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 91.7 m-85 -72.76 -29.41 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.653 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 66.38 2.81 2.56 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.711 -174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 139' ' ' SER . 48.4 mtmt -136.54 173.35 11.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -172.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 22.8 m-70 -100.74 105.67 17.02 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.691 HG12 HG23 ' A' ' 137' ' ' VAL . 34.6 m -121.88 146.77 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.302 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -102.41 117.12 34.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.244 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 87.5 mt -89.67 129.35 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB3' ' HA2' ' A' ' 135' ' ' GLY . 4.2 tp10 -111.58 -22.34 11.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.875 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.77 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 18.8 ttt180 -162.32 155.77 20.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.291 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -132.31 117.53 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.49 102.33 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.046 0.451 . . . . 0.0 109.819 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.16 124.58 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.912 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.51 102.45 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.087 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 24.2 m -149.96 -174.62 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.496 -175.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.556 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -140.0 159.83 41.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.187 175.098 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 65.48 -96.75 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.85 0.719 . . . . 0.0 111.191 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.892 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.8 t 55.9 -168.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 123.538 0.524 . . . . 0.0 110.214 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.892 ' H ' HG12 ' A' ' 69' ' ' VAL . 36.2 tt0 177.44 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -118.42 101.49 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.435 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 HG12 ' A' ' 118' ' ' ILE . 43.9 tp -116.51 116.43 27.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.086 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.707 ' HE2' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -100.18 130.24 46.29 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.586 177.058 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.547 HD12 HG13 ' A' ' 89' ' ' ILE . 47.3 mt -98.71 102.57 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.889 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.707 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 18.2 tt0 -107.22 133.17 52.19 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.148 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 15.1 ptmm? -118.87 150.93 39.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 65.7 m -134.21 118.46 17.64 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.104 0.478 . . . . 0.0 110.293 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.42 32.08 3.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -85.29 164.15 18.19 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.251 -172.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -89.28 -16.48 31.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.388 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 62.9 mm-40 -116.5 164.21 19.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.672 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 84.8 Cg_endo -77.99 34.43 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.298 1.999 . . . . 0.0 112.514 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.9 m -137.32 -173.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.872 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 61.55 98.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.433 0.635 . . . . 0.0 110.052 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -105.44 128.46 53.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.533 -171.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -104.09 120.89 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.371 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.68 138.89 58.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.055 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.401 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 10.7 t90 -130.83 -79.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.841 -176.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.547 HG13 HD12 ' A' ' 74' ' ' ILE . 5.5 pt -142.68 156.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.934 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -120.01 140.58 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.08 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE3' HG12 ' A' ' 105' ' ' ILE . 35.4 mmtt -128.54 107.48 9.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.534 0.683 . . . . 0.0 111.399 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.44 126.28 45.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.05 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 69' ' ' VAL . 82.7 mt -111.26 152.79 26.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.607 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -112.87 147.81 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.78 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -64.99 103.31 0.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.178 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 2.6 p -91.6 137.28 32.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.719 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.91 117.1 32.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.47 -25.87 4.84 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 19.8 tt0 -93.53 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.329 . . . . 0.0 110.623 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.2 tt -77.88 137.19 38.23 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 100' ' ' LEU . 73.7 mm-40 -72.37 83.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 0.0 111.492 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.41 95.21 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 168.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.98 121.32 40.78 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -174.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HG2' ' NH2' ' A' ' 61' ' ' ARG . 2.5 mp0 -99.13 92.99 5.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.607 0.718 . . . . 0.0 109.819 174.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 59.6 mt -86.87 95.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.674 -176.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.07 105.92 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.403 0.621 . . . . 0.0 109.961 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.84 131.74 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -99.44 120.58 39.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.79 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -167.1 140.05 6.08 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.466 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 m -100.52 131.34 46.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.47 155.63 39.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 111.803 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 p -106.73 -30.7 8.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.513 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 64.1 m-85 -130.11 137.88 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.259 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 32.7 mt -114.73 122.35 46.16 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HE ' HD11 ' A' ' 117' ' ' ILE . 52.2 ttt85 -110.76 96.06 5.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.352 0.596 . . . . 0.0 110.425 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.26 123.17 30.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.596 HD12 ' HD2' ' A' ' 73' ' ' LYS . 81.8 mt -122.5 107.23 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.103 0.478 . . . . 0.0 110.97 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.614 HG12 HD13 ' A' ' 72' ' ' LEU . 52.9 mt -87.88 102.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.658 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -74.43 -41.05 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.929 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -151.07 160.7 43.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.601 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.56 162.35 37.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.601 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -64.26 -23.66 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.265 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -126.04 -176.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -90.9 -18.31 24.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 109.571 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.29 122.37 45.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.316 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 40' ' ' THR . . . -114.56 112.41 22.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.9 p -104.99 114.03 27.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 0.0 111.467 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.426 HG12 ' HE3' ' A' ' 39' ' ' TRP . 6.3 p -104.68 132.11 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.451 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -84.97 -64.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.616 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 42.1 m -152.59 144.22 23.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.55 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 30' ' ' ILE . 13.3 m -121.04 122.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.888 175.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -120.59 138.43 53.9 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.475 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.45 26.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 53.5 mt-10 -94.24 139.94 30.41 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 60' ' ' GLU . . . 171.05 -141.81 6.7 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.604 HG23 ' HA ' ' A' ' 2' ' ' ARG . 22.9 p -138.29 126.35 22.75 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.197 0.522 . . . . 0.0 110.433 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.691 HG23 HG12 ' A' ' 57' ' ' VAL . 7.9 p -84.34 137.02 21.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.522 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.32 -58.28 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.788 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 36.6 m . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -146.94 112.53 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 6.3 tt -154.01 146.24 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.134 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.36 93.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 57' ' ' VAL . 89.9 mt -77.88 0.75 22.85 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.9 m -94.23 -3.61 50.43 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.211 -0.305 . . . . 0.0 111.566 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 74.6 mt -72.15 144.89 48.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 111.472 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -17.37 64.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 0.0 110.366 171.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -68.89 -22.46 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.416 0.627 . . . . 0.0 109.485 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 8.2 mm-40 -89.01 -15.98 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.889 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.88 5.31 35.81 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.326 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -81.51 144.21 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.102 0.477 . . . . 0.0 110.813 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.02 138.48 51.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.309 -175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.1 125.96 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 109.956 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.655 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.8 tt -124.58 114.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.835 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 16' ' ' ILE . 87.0 mt 73.97 131.85 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.52 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.56 146.4 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -66.01 -35.88 81.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 m -127.85 147.48 50.45 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -144.27 106.04 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 0.0 110.097 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -104.26 150.6 24.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.26 -13.58 32.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.05 0.452 . . . . 0.0 110.584 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -89.59 -36.2 15.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -116.97 84.63 16.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.315 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 14.1 Cg_exo -66.92 127.44 16.94 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.442 2.095 . . . . 0.0 111.893 -175.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.448 ' O ' HG22 ' A' ' 30' ' ' ILE . 51.4 Cg_exo -56.17 -29.92 77.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.929 2.42 . . . . 0.0 111.86 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.55 -17.97 57.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.382 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -84.81 -3.49 58.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.637 0.256 . . . . 0.0 110.889 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 31' ' ' ILE . 10.7 tt -70.41 -27.7 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.249 0.547 . . . . 0.0 109.873 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 30' ' ' ILE . 15.1 pt -102.34 6.43 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.854 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.94 -57.84 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.24 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.27 -8.39 35.45 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.063 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.6 m-80 -83.59 131.46 52.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.787 0.794 . . . . 0.0 110.756 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 3.7 Cg_exo -78.47 13.77 1.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.813 2.342 . . . . 0.0 112.875 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.53 -40.21 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.242 0.544 . . . . 0.0 110.0 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -151.1 119.27 6.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.669 175.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 30.1 p90 -112.6 164.66 13.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.5 144.24 28.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.325 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 t -147.04 141.66 26.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.508 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 43' ' ' GLY . 27.5 m -78.61 138.39 38.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.286 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -85.54 6.3 27.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.723 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.727 ' H ' HG22 ' A' ' 41' ' ' THR . . . 104.8 47.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.854 172.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 51.5 ttp -123.47 117.62 25.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 117.211 0.505 . . . . 0.0 109.807 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -106.5 141.06 22.0 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.985 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.4 165.48 80.41 Favored 'Cis proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.581 -1.425 . . . . 0.0 112.275 -0.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.636 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 57.2 mt-30 -106.99 111.51 24.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.68 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.165 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.1 149.12 28.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.741 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 16' ' ' ILE . 42.8 mt -118.99 143.67 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.035 0.445 . . . . 0.0 110.837 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.15 118.66 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 t -102.78 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.6 m-85 -71.28 -20.19 62.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.792 -176.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.44 12.57 6.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.377 0.423 . . . . 0.0 110.694 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -161.23 154.99 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.087 -168.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -88.03 115.79 25.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.693 ' HB ' HD13 ' A' ' 6' ' ' LEU . 15.9 m -125.41 141.72 44.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.233 0.54 . . . . 0.0 111.628 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.63 ' HG2' HG22 ' A' ' 138' ' ' VAL . 15.5 mmm-85 -84.3 108.12 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.739 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -95.5 117.38 39.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 O-C-N 123.657 0.598 . . . . 0.0 109.788 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -124.6 4.64 8.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 0.0 109.609 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 16.2 tpp85 -158.34 136.19 10.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.649 -177.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.574 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 88.8 mt -123.64 115.31 21.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.87 102.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 35.2 mm -100.22 105.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.27 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -108.55 105.48 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 p -140.42 165.68 26.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.861 0.363 . . . . 0.0 111.838 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.21 128.6 56.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.186 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 69.32 -93.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.785 0.678 . . . . 0.0 111.687 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.886 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.7 t 52.65 -158.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 O-C-N 123.363 0.415 . . . . 0.0 109.917 -176.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.886 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.9 tt0 177.53 -72.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.262 0.625 . . . . 0.0 109.745 175.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 m -110.41 100.07 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 118' ' ' ILE . 38.4 tp -118.34 113.58 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.715 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -100.94 123.26 44.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.983 0.421 . . . . 0.0 110.157 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.672 HD12 HG13 ' A' ' 89' ' ' ILE . 66.4 mt -93.11 118.53 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.975 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.795 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 14.3 tt0 -105.43 133.84 49.53 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 88' ' ' TRP . 22.2 ptmt -112.81 144.33 42.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.759 0.314 . . . . 0.0 111.303 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.5 t -143.02 136.87 28.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 111' ' ' ALA . 0.8 OUTLIER -132.05 24.15 4.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.977 177.427 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -92.83 14.23 18.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.861 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 71.81 -49.29 0.69 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.172 0.589 . . . . 0.0 111.029 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -86.31 158.68 54.71 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.75 56.35 2.89 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.829 2.353 . . . . 0.0 111.745 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.92 172.97 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.25 52.47 12.03 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.081 0.863 . . . . 0.0 112.509 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.774 ' HB2' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -93.5 128.61 39.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.01 174.145 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -123.16 157.9 31.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.163 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.01 125.27 23.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.113 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 76' ' ' LYS . 9.7 t90 -100.75 -74.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.672 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -141.76 105.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.309 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' LYS . 9.0 pt-20 -96.28 134.91 38.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.082 0.468 . . . . 0.0 110.06 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -128.36 141.52 51.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.655 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.8 p-10 -94.89 127.97 41.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 170.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.65 162.25 13.07 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.511 ' HB ' ' NE2' ' A' ' 101' ' ' GLN . 46.4 t -97.23 139.56 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.063 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.96 105.69 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.804 0.335 . . . . 0.0 110.487 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.6 p -96.51 140.89 30.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.296 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -103.86 103.69 13.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.713 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.04 13.49 76.05 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.625 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.542 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.8 mm100 -121.45 144.8 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.906 0.384 . . . . 0.0 111.048 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 129' ' ' HIS . 6.9 mt -80.09 127.51 32.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.511 ' NE2' ' HB ' ' A' ' 94' ' ' VAL . 4.9 mm-40 -85.37 94.13 8.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 84.9 m-20 -102.03 104.79 15.47 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.58 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.0 112.55 25.58 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.979 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.59 85.61 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 62.2 mt -79.99 125.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.627 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.07 86.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.49 118.09 35.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.311 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -99.07 104.68 16.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.017 0.437 . . . . 0.0 109.901 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.21 -172.17 34.1 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.867 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 m -143.3 136.7 28.22 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.639 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -148.92 147.94 29.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 15.8 p -100.78 -25.16 14.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.805 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 63.3 m-85 -132.69 127.2 34.29 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.106 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.2 mt -114.97 116.3 28.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.795 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 62.6 ttt180 -106.62 106.78 17.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.769 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -89.75 115.22 26.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.715 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 68.8 mt -114.16 102.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.438 0.637 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 58.5 mt -86.82 101.12 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.038 174.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.7 t -68.22 -42.82 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.373 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 p -154.98 163.16 40.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -139.29 162.54 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -67.13 -31.56 72.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 110.468 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.46 168.15 9.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.002 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.33 -22.43 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.016 0.436 . . . . 0.0 110.41 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -115.92 148.33 40.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.88 139.86 43.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.239 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -127.42 142.85 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.4 p -114.6 138.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.474 ' HB2' HD21 ' A' ' 100' ' ' LEU . 10.7 t60 -96.01 -55.84 2.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 m -158.54 125.65 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.116 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.26 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.368 0.604 . . . . 0.0 109.972 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.7 m -109.26 148.33 31.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.843 -172.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.67 123.81 51.13 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 27.5 mt-10 -107.18 150.73 26.3 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.161 0.505 . . . . 0.0 110.855 -176.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 154.3 -130.92 3.03 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 163.0 39.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.063 0.432 . . . . 0.0 111.37 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -84.49 132.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.759 0.314 . . . . 0.0 111.228 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.63 HG22 ' HG2' ' A' ' 58' ' ' ARG . 40.9 t -89.84 -71.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -177.388 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 136' ' ' THR . 48.0 ttt180 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.43 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 51.3 mttm 70.46 89.43 0.1 Allowed 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.771 0.796 . . . . 0.0 110.926 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tt -138.59 145.41 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.657 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.28 102.78 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 110.314 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 57' ' ' VAL . 30.7 mt -83.77 4.83 27.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.052 -174.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.23 -5.61 46.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.53 133.09 46.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.949 0.404 . . . . 0.0 111.338 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 31' ' ' ILE . 54.8 p -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.202 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -78.64 -17.65 55.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.812 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -87.01 -9.48 55.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.512 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.58 35.27 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.286 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 135.27 41.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.033 0.444 . . . . 0.0 110.23 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -137.93 134.47 35.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.937 -173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 27' ' ' PRO . 15.3 m -84.27 130.44 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.278 0.561 . . . . 0.0 110.674 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.8 tt -130.67 133.08 63.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 62.14 80.11 0.24 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.656 0.741 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.47 143.91 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.053 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -68.76 -38.33 80.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.812 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -167.35 169.63 12.19 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 34.4 t -172.6 159.77 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.893 ' HB2' ' HB2' ' A' ' 25' ' ' HIS . 7.3 m-20 -92.19 161.96 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 24' ' ' LYS . 8.1 pt-20 -76.37 -36.54 58.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.868 0.366 . . . . 0.0 110.54 177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 63.7 mttp -99.79 -0.5 39.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.447 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.893 ' HB2' ' HB2' ' A' ' 22' ' ' ASP . 28.5 m80 -129.27 72.48 81.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 98.4 Cg_endo -93.18 162.59 2.54 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.952 2.434 . . . . 0.0 113.187 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.797 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.2 Cg_exo -66.71 -12.38 35.67 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.904 2.402 . . . . 0.0 111.119 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -56.57 -31.01 63.8 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.515 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 29.1 t-20 -69.88 -30.81 68.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.8 -35.23 72.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.181 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 9' ' ' SER . 31.0 pt -98.79 6.59 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.596 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 19.0 t70 -101.26 -67.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.86 27.17 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.585 -0.817 . . . . 0.0 114.246 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 49.5 t30 -84.32 116.75 66.49 Favored Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 117.724 0.762 . . . . 0.0 110.588 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 24.6 Cg_exo -63.64 -14.14 40.9 Favored 'Trans proline' 0 N--CA 1.477 0.551 0 C-N-CA 123.667 2.911 . . . . 0.0 114.26 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.35 -27.71 69.2 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' ND2' ' A' ' 29' ' ' ASN . 9.2 t -138.53 163.82 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.4 p90 -154.2 169.48 23.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.29 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 128' ' ' VAL . 82.1 t90 -94.43 113.53 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 0.0 109.64 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t -103.42 146.32 28.67 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.1 p -76.67 125.62 29.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.96 11.02 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.885 0.374 . . . . 0.0 111.716 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.14 14.61 51.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.993 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.519 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 25.6 mmt -94.22 88.82 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.757 -0.261 . . . . 0.0 110.549 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.85 132.64 20.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.968 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.62 163.58 74.06 Favored 'Cis proline' 0 C--O 1.234 0.314 0 C-N-CA 123.256 -1.56 . . . . 0.0 112.347 -1.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' MET . 14.6 pt20 -134.71 149.82 50.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -135.82 150.35 49.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.262 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -148.9 133.04 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.496 HG12 ' HG3' ' A' ' 115' ' ' ARG . 58.0 mt -105.93 134.83 46.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.913 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.36 114.77 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.448 . . . . 0.0 109.918 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 t -93.89 112.04 23.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.9 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 90.9 m-85 -71.95 -19.17 61.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.023 0.44 . . . . 0.0 109.887 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 67.59 -2.51 1.32 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.326 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -147.68 176.71 9.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.586 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 51.3 m-70 -95.61 115.51 27.54 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.3 m -117.5 140.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.25 0.548 . . . . 0.0 111.177 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 58' ' ' ARG . 38.9 ttm180 -96.64 108.39 20.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.254 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 70.7 mt -92.24 126.86 44.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.39 -44.43 7.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.629 ' HG2' ' HA ' ' A' ' 106' ' ' VAL . 82.7 mtm180 -144.01 151.26 39.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.4 mp -109.89 108.97 19.44 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.2 t -91.34 98.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 131' ' ' VAL . 45.9 mt -105.92 119.56 55.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.37 102.21 12.14 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.438 ' HB3' HG23 ' A' ' 128' ' ' VAL . 36.2 p -149.56 143.22 25.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.571 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -128.11 145.06 51.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.41 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 38.6 m-85 74.74 2.31 4.01 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.02 0.825 . . . . 0.0 112.209 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 32.1 t -76.69 144.22 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 3.9 tm0? -113.2 -88.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.901 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.9 m -86.98 106.56 17.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.026 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.527 HD11 ' HD1' ' A' ' 116' ' ' PHE . 27.0 tp -114.77 114.59 25.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.634 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 86.2 tttt -95.94 115.67 27.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.495 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 89' ' ' ILE . 52.5 mt -93.45 99.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 20.0 tt0 -96.78 136.65 37.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.477 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . 27.4 ttmt -106.59 138.76 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.818 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 33.1 m -136.1 128.57 30.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.01 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 111' ' ' ALA . 44.0 p -109.22 12.67 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.365 0.602 . . . . 0.0 110.49 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -85.53 171.39 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.907 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -76.99 -28.92 55.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 83' ' ' VAL . 11.2 mm-40 -100.8 161.03 25.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.593 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 44.67 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.427 2.084 . . . . 0.0 112.353 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.8 m -129.79 179.75 3.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.485 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 64.91 87.53 0.11 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -103.7 133.8 48.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.777 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.607 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 10.4 pt-20 -124.61 142.5 51.32 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 170.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.74 98.18 10.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.976 0.417 . . . . 0.0 110.471 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -75.46 -73.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.395 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 105' ' ' ILE . 1.1 pt -147.82 107.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.162 0.506 . . . . 0.0 111.831 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -91.97 113.4 25.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -123.92 129.25 50.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 110.415 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 13.6 p-10 -95.16 131.94 40.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.092 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 30.8 tp -80.65 148.24 30.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.454 -177.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.09 168.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -106.82 121.08 43.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.892 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 13.5 p -131.65 111.39 11.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 173.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -68.59 111.98 5.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.069 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.48 3.3 66.01 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.554 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.892 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 84.6 mm-40 -109.22 115.44 30.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.6 97.92 9.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 101' ' ' GLN . 17.8 mm-40 -95.84 116.22 28.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.48 135.65 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 105' ' ' ILE . 14.7 tp10 -97.37 101.94 13.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.239 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -96.56 100.35 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 89' ' ' ILE . 77.2 mt -91.62 104.96 16.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.629 ' HA ' ' HG2' ' A' ' 61' ' ' ARG . 4.0 p -78.32 98.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.944 0.878 . . . . 0.0 110.414 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.74 121.76 14.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.704 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 96.4 m-70 -99.11 114.32 26.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.361 . . . . 0.0 110.533 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.61 178.26 34.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.356 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -138.26 123.66 19.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -144.85 164.53 30.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.929 0.395 . . . . 0.0 111.311 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.7 p -110.37 -29.28 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.677 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.818 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 50.8 m-85 -127.84 131.14 49.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.494 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.558 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 33.1 mt -114.77 123.62 49.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 171.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 66.4 ttt180 -106.48 100.14 9.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.873 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.527 ' HD1' HD11 ' A' ' 72' ' ' LEU . 57.1 m-85 -88.51 109.6 20.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.145 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 64.0 mt -106.81 115.01 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.442 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.5 mt -98.36 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.57 -43.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.957 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -143.96 159.97 41.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -140.16 170.37 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.871 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -74.33 -20.29 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.461 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.59 174.23 10.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -79.71 -16.76 55.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.005 0.431 . . . . 0.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -117.03 122.32 43.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.001 0.429 . . . . 0.0 110.367 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.24 171.15 8.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.737 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -145.25 127.9 16.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.392 . . . . 0.0 111.019 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 39' ' ' TRP . 13.5 p -120.23 127.64 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 171.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 10.7 t-80 -97.02 -41.55 8.32 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.885 -176.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.8 t -164.09 129.01 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.849 0.357 . . . . 0.0 110.654 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 64' ' ' ILE . 10.2 m -109.76 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 m -90.75 137.9 32.0 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.22 108.93 20.71 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.43 ' OE2' ' HG2' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -97.76 121.48 39.72 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.094 0.473 . . . . 0.0 110.016 -176.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.22 1.01 Allowed Glycine 0 N--CA 1.438 -1.212 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 2' ' ' ARG . 16.7 p -146.41 145.88 30.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.5 m -76.96 105.35 5.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.271 0.557 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.47 -34.27 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.539 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 45.5 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 2' ' ' ARG . 42.9 ttm105 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 64.1 tttp 63.0 35.54 13.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 122.58 1.181 . . . . 0.0 107.892 -168.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.6 tt -95.29 138.22 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 -177.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -71.09 111.81 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.022 0.439 . . . . 0.0 109.824 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.727 HD13 ' HB ' ' A' ' 57' ' ' VAL . 13.5 mt -98.83 0.89 45.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.151 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.05 -3.98 50.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.78 0.324 . . . . 0.0 111.563 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 140.68 58.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.995 0.426 . . . . 0.0 111.062 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -78.76 -19.17 52.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.259 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -82.68 -10.58 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.357 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.94 3.49 42.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 m -83.78 138.83 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.975 0.417 . . . . 0.0 111.207 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -126.45 179.41 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.134 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.47 149.73 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.77 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.486 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.6 tt -141.12 156.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.653 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.9 tt 73.2 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.734 0.813 . . . . 0.0 110.364 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 55.45 92.99 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.584 0.552 . . . . 0.0 112.149 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -61.05 -53.37 58.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.67 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -84.79 81.21 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -102.94 120.15 40.11 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -97.77 141.84 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -94.29 -5.81 45.87 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.843 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.17 -31.85 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.319 0.58 . . . . 0.0 109.469 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -120.86 86.35 41.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 Cg_exo -73.61 156.02 49.54 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.003 2.468 . . . . 0.0 112.969 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 48.8 Cg_exo -59.11 -13.96 21.59 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.784 2.99 . . . . 0.0 113.676 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.58 -20.89 61.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.135 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.571 ' OD1' ' HB ' ' A' ' 37' ' ' THR . 0.9 OUTLIER -78.94 1.66 22.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.333 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.95 -30.83 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.236 0.541 . . . . 0.0 110.07 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.796 HG13 ' H ' ' A' ' 32' ' ' ASP . 5.6 pt -118.9 -86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.98 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.796 ' H ' HG13 ' A' ' 31' ' ' ILE . 22.8 t70 68.7 -51.16 0.57 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.747 0.819 . . . . 0.0 112.884 175.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.62 -0.52 32.38 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -174.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 48.9 t30 -143.46 113.84 5.62 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 7.3 Cg_exo -74.59 19.19 0.47 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.051 2.501 . . . . 0.0 114.148 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -71.87 -46.05 59.24 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.001 -0.437 . . . . 0.0 109.99 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.571 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 23.6 p -91.47 153.31 19.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -154.05 154.18 33.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.185 0.516 . . . . 0.0 111.661 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -95.65 125.53 40.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.466 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -114.03 159.21 20.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.097 0.475 . . . . 0.0 110.753 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.521 ' HB ' ' H ' ' A' ' 126' ' ' ALA . 15.9 m -94.61 123.95 38.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.913 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 27.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.678 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 124' ' ' HIS . . . 88.06 -11.78 66.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.414 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.0 ttt -86.46 103.87 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.976 0.417 . . . . 0.0 111.763 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.44 150.89 40.06 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.604 171.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.877 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 4.4 Cg_exo -78.22 161.07 91.11 Favored 'Cis proline' 0 C--N 1.343 0.262 0 C-N-CA 123.716 -1.368 . . . . 0.0 112.234 -1.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 4.3 pt20 -118.95 126.85 52.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.602 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.498 ' HG2' HG23 ' A' ' 117' ' ' ILE . 28.8 mt-10 -118.71 133.46 55.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.636 -177.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -145.81 142.78 29.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.486 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.2 mt -114.71 135.28 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.026 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -105.88 126.63 61.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.7 t -102.15 114.17 28.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.119 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.437 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.6 m-85 -78.49 -16.6 57.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.087 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 12.8 m-70 69.35 -5.62 1.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.01 0.524 . . . . 0.0 111.669 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.62 166.91 29.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.312 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -82.65 124.13 29.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.727 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.1 m -130.45 141.66 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.063 0.459 . . . . 0.0 111.459 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.2 ttm180 -89.42 114.78 26.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -98.2 126.31 51.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 23.7 tt0 -107.68 -36.87 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 87.5 mtt180 -137.89 142.55 40.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 111.015 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.9 mp -110.03 111.76 23.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 53.0 t -91.0 98.72 8.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 62' ' ' LEU . 11.1 mm -102.21 112.59 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.05 -174.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -107.56 102.22 11.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 109.993 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -151.11 176.58 11.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.533 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HD2' ' HG ' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -141.26 153.96 45.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.49 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 45.6 m-85 77.14 -25.9 0.19 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.689 0.796 . . . . 0.0 112.632 172.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 HG23 ' A' ' 118' ' ' ILE . 48.5 t -53.84 146.04 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.95 0.5 . . . . 0.0 111.793 -178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -120.23 -63.65 1.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.482 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -108.88 115.73 30.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.731 HD11 ' HD2' ' A' ' 116' ' ' PHE . 19.8 tp -116.25 108.47 16.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.351 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 35.0 tttp -89.79 124.43 34.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.553 -176.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 HG13 ' A' ' 89' ' ' ILE . 20.3 mt -122.18 108.76 22.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.381 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' A' ' 87' ' ' GLN . 2.6 mp0 -102.26 150.5 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.9 ptpp? -107.06 141.17 38.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 52.9 m -135.1 127.3 30.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.6 p -105.53 -3.68 22.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.901 0.381 . . . . 0.0 111.271 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 m -76.96 163.56 26.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -84.4 -16.49 42.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -78.96 149.86 74.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.25 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.14 38.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 26.4 m -136.69 -173.95 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.9 t0 64.15 80.45 0.23 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.128 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 83' ' ' VAL . 96.9 m-85 -106.71 100.56 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.22 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -88.86 111.6 22.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.732 178.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.722 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 10.3 tt0 -50.72 114.36 1.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -175.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -92.96 -72.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.382 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.583 HG13 HD12 ' A' ' 74' ' ' ILE . 1.8 pt -141.8 114.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.434 0.635 . . . . 0.0 111.917 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -78.96 96.07 5.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HG2' HD13 ' A' ' 105' ' ' ILE . 28.6 tptp -100.16 143.01 30.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.235 0.541 . . . . 0.0 111.43 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.05 141.23 32.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.537 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.507 HD13 ' HB ' ' A' ' 69' ' ' VAL . 6.5 tt -126.23 146.22 50.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 93' ' ' LEU . 44.3 t -119.15 142.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.618 -174.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -71.58 92.0 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 4.3 p -78.56 131.54 36.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.34 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -83.46 127.92 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.418 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.98 17.73 59.06 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.619 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.547 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 21.9 tt0 -140.59 127.96 21.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.859 0.362 . . . . 0.0 110.72 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.573 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 2.8 tt -89.52 115.97 27.33 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 171.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -73.14 89.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.213 0.53 . . . . 0.0 111.591 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.93 95.3 10.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -110.46 122.91 48.88 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.22 -175.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.93 102.02 11.42 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 80.4 mt -79.66 106.47 10.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.17 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -76.3 91.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.508 0.67 . . . . 0.0 110.345 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.08 120.54 26.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.64 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -98.98 113.71 26.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.89 -176.28 36.43 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.101 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -131.59 137.97 48.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.76 165.33 34.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.299 0.571 . . . . 0.0 111.847 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 m -121.25 -33.46 3.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.719 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 40.6 m-85 -129.89 146.9 51.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.389 173.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 52.0 mt -129.98 130.04 44.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 117' ' ' ILE . 7.8 ttm180 -106.42 115.38 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.731 ' HD2' HD11 ' A' ' 72' ' ' LEU . 75.3 m-85 -98.35 113.57 25.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.151 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.1 mt -110.94 101.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.106 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.618 HG23 HG13 ' A' ' 69' ' ' VAL . 59.6 mt -82.58 97.17 4.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 174.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.877 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.0 t -72.17 -57.4 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.053 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -134.83 156.34 49.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.054 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.05 161.15 38.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.16 -18.51 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.27 0.557 . . . . 0.0 110.159 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 68' ' ' PHE . 4.4 m-20 -124.24 168.66 12.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.786 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.53 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 64.8 t60 -91.08 10.4 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.969 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -149.91 155.39 39.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.521 ' H ' ' HB ' ' A' ' 41' ' ' THR . . . -149.08 158.6 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.2 t -143.15 131.49 22.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.332 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.51 138.15 26.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.3 -23.69 8.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.828 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.2 p -171.11 142.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.994 0.426 . . . . 0.0 110.834 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.01 128.94 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.855 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 59.7 m -128.0 148.56 50.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.099 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -125.55 102.53 7.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 94.6 mt-10 -94.54 118.9 32.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.238 0.542 . . . . 0.0 111.23 -175.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -170.3 -127.19 0.92 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.3 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.429 ' OG1' ' HD2' ' A' ' 58' ' ' ARG . 12.0 p -140.68 141.33 35.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.726 0.298 . . . . 0.0 110.207 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.5 127.75 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.665 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.25 -56.56 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.404 176.026 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp 62.57 51.95 3.05 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.6 tt -95.3 140.04 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.336 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.37 91.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.0 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 24.2 mt -82.12 5.08 20.75 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -170.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.5 m -94.48 -3.26 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.4 150.89 31.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.838 -174.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -67.54 -22.02 65.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.751 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -64.29 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.606 174.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -84.9 2.03 44.54 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.129 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 8.05 84.01 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 m -78.07 146.11 35.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.075 0.464 . . . . 0.0 110.181 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 31' ' ' ILE . 42.0 tt0 -146.19 142.4 28.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.252 -171.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -86.96 135.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.144 0.497 . . . . 0.0 110.619 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.1 tt -137.56 139.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.281 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 tt 61.99 84.4 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.353 0.597 . . . . 0.0 110.331 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.93 121.28 42.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -54.47 -52.5 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.536 -175.273 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -132.26 118.91 20.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.543 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -117.91 118.25 31.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.008 0.433 . . . . 0.0 110.186 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.207 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.25 -16.31 56.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.329 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -101.45 -15.05 17.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.43 0.634 . . . . 0.0 109.518 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -133.88 74.12 69.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.385 -0.825 . . . . 0.0 108.987 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 Cg_endo -83.71 135.5 6.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.046 2.498 . . . . 0.0 113.155 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 20.2 Cg_exo -66.77 -12.35 35.61 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.228 2.619 . . . . 0.0 111.705 177.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.49 -26.76 68.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.995 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.544 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 16.7 t-20 -64.88 -25.73 68.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.458 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.25 -42.26 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.469 -177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 14' ' ' GLU . 36.6 pt -91.72 -1.33 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.491 0.662 . . . . 0.0 110.401 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 29.6 t70 -87.46 -48.55 7.86 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.986 -176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.54 66.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.991 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -89.28 118.11 68.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 117.678 0.739 . . . . 0.0 110.385 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.18 2.95 3.28 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.999 2.466 . . . . 0.0 112.717 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.54 -23.65 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -132.68 166.59 21.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.324 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -153.07 151.19 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.4 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.5 t90 -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 140.36 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.691 HG21 ' HG2' ' A' ' 47' ' ' GLN . 80.4 p -78.17 116.35 18.56 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 45.8 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -171.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.51 33.77 46.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.31 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.7 tpt -113.31 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.588 0.232 . . . . 0.0 110.541 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.95 136.43 19.45 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.62 173.51 39.85 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.2 -1.583 . . . . 0.0 111.979 -2.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.705 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 0.7 OUTLIER -107.5 150.31 26.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -176.011 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -164.37 119.67 1.49 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.144 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 44.2 p90 -134.83 145.71 48.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.226 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.5 mt -114.57 128.63 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 -175.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.4 mt -110.49 113.59 44.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 17.9 p -98.88 137.75 36.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.492 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 55' ' ' LYS . 79.9 m-85 -83.35 -14.03 53.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 4.3 m-70 70.76 -17.18 0.3 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.836 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 53' ' ' PHE . 25.8 pttm -136.77 161.98 34.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 139' ' ' SER . 22.0 t-80 -82.74 105.71 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.36 169.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.536 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.4 120.7 37.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.628 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 91.6 mt -89.64 135.32 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.791 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -101.65 -35.73 9.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.787 0.327 . . . . 0.0 110.139 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -161.73 159.96 27.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.143 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -110.17 134.1 52.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.995 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.49 106.85 21.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 HG12 ' A' ' 131' ' ' VAL . 26.5 mt -115.82 142.17 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.263 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -126.77 102.11 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -135.13 154.78 51.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 0.2 OUTLIER -129.32 140.44 51.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.921 0.391 . . . . 0.0 111.195 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 68.64 30.26 5.09 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.518 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.647 ' HB ' HD22 ' A' ' 93' ' ' LEU . 63.9 t -100.43 135.21 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 76.8 mt-30 -95.49 -85.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 110.313 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -97.83 115.63 28.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.073 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.72 109.32 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.677 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 48.2 tttp -92.0 129.68 37.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.639 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 89' ' ' ILE . 45.0 mt -114.91 108.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.111 0.481 . . . . 0.0 111.238 -176.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.79 141.79 28.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.4 175.507 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.3 ptmm? -118.08 119.02 33.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.001 0.429 . . . . 0.0 110.296 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 1.027 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 71.1 m -101.79 131.63 47.99 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -107.41 10.79 29.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.301 0.572 . . . . 0.0 110.738 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 p -92.5 163.01 13.98 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.105 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 80' ' ' LYS . 30.9 mtmt -69.28 -30.3 68.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.525 0.679 . . . . 0.0 109.637 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 83' ' ' VAL . 33.6 mt-10 -93.06 154.26 41.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.265 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.7 45.7 1.84 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.019 2.479 . . . . 0.0 112.057 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.3 m -122.13 -162.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.08 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 83' ' ' VAL . 16.2 t70 73.68 -74.78 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.784 0.677 . . . . 0.0 111.528 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.709 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 56.4 m-85 59.58 90.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.595 0.559 . . . . 0.0 111.583 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -82.24 125.27 30.75 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.25 107.74 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.526 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 9.4 t90 -102.3 -79.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -173.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.521 HG13 HD12 ' A' ' 74' ' ' ILE . 2.5 pt -140.27 143.68 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.469 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 56.1 mt-10 -124.82 119.61 29.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -115.43 140.16 49.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.072 0.463 . . . . 0.0 111.138 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 7.5 p-10 -110.6 119.91 40.7 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.053 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.647 HD22 ' HB ' ' A' ' 69' ' ' VAL . 7.6 mp -86.97 171.83 10.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.135 -173.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.14 154.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.883 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.5 100.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.432 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -90.36 117.74 29.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.491 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -102.08 100.9 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.352 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 38.81 86.0 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.377 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -137.12 141.2 42.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.51 0.195 . . . . 0.0 110.799 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.17 97.17 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -88.01 148.8 24.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -109.52 117.34 33.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.03 93.33 8.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.73 84.84 7.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.452 0.644 . . . . 0.0 109.5 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 82.7 mt -86.33 107.22 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.978 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.9 t -76.86 95.31 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.31 0.576 . . . . 0.0 109.814 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.95 103.2 3.73 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.626 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.628 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.5 p80 -105.0 116.98 32.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.446 0.641 . . . . 0.0 111.734 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 161.86 35.68 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.961 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -91.51 141.66 28.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 117.086 0.443 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.06 159.09 35.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 p -115.68 -26.59 7.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.528 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 1.027 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 34.2 m-85 -130.43 133.32 46.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.177 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.8 120.89 41.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 68.9 ttt180 -106.49 110.79 23.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.228 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -97.63 106.62 18.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 65.3 mt -101.4 106.91 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 31.8 mt -89.14 101.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 35.2 t -76.64 -34.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -175.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -152.0 156.7 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.913 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.82 157.07 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -71.05 -28.12 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 110.204 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.36 -172.3 2.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -91.51 1.35 57.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.286 0.565 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.83 129.34 19.06 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.929 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -100.39 127.63 46.67 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.531 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 19.4 m -122.31 113.92 20.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.982 0.42 . . . . 0.0 110.836 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.4 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.2 p -87.62 135.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -104.29 -49.12 3.66 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.944 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -143.84 135.58 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.554 HG12 HG23 ' A' ' 64' ' ' ILE . 25.8 m -133.47 137.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.5 m -147.74 132.9 18.33 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.01 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.4 110.24 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -94.3 112.81 24.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.183 0.516 . . . . 0.0 110.166 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -158.52 -136.64 2.1 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.308 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.6 p -139.31 146.39 40.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 m -79.1 137.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 41.3 t -116.21 -69.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.93 0.395 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.697 ' HB2' ' HB3' ' A' ' 56' ' ' HIS . 1.6 m . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 89.3 mtt180 . . . . . 0 C--O 1.235 0.306 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 2' ' ' ARG . 20.6 tptt 69.64 106.75 0.06 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.947 0.879 . . . . 0.0 109.454 -166.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 tt -150.33 145.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.454 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.73 91.38 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.529 0.68 . . . . 0.0 110.086 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.2 mt -73.87 -16.23 61.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.044 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 94.4 m -86.38 -3.67 59.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.83 145.73 53.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 t -67.34 -20.4 65.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 -19.99 65.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.097 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.22 -0.15 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.845 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.79 13.25 65.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.548 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 m -94.51 138.01 32.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.564 ' HA ' HD13 ' A' ' 31' ' ' ILE . 36.9 mt-10 -133.64 167.12 21.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.217 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG12 HG12 ' A' ' 51' ' ' ILE . 18.7 m -102.55 155.69 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.754 0.312 . . . . 0.0 110.428 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.845 HG12 HD12 ' A' ' 17' ' ' LEU . 13.9 tt -144.23 155.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 16' ' ' ILE . 8.4 mp 69.33 -94.7 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.465 0.706 . . . . 0.0 110.941 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.98 116.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.867 0.729 . . . . 0.0 111.828 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.7 p -80.33 18.66 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.724 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 32.3 t -164.49 133.71 3.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 110.389 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 m -153.09 113.46 4.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.01 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.15 148.76 21.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.5 -29.45 70.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 111.391 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 25.7 mtpp -105.19 -30.32 9.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.596 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -115.21 81.12 7.82 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.005 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' LYS . 52.6 Cg_endo -93.14 166.87 2.44 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.124 2.549 . . . . 0.0 112.434 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.38 -9.82 11.8 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.128 2.552 . . . . 0.0 113.265 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.93 -36.93 60.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.933 0.397 . . . . 0.0 110.641 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 2.01 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.034 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.7 mt -79.48 -34.37 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.619 HG13 ' H ' ' A' ' 32' ' ' ASP . 11.4 pt -109.25 -104.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.897 175.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 31' ' ' ILE . 47.2 t0 69.09 -53.85 0.58 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.503 0.721 . . . . 0.0 112.18 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.48 13.3 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -172.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 75.3 m-20 -126.89 112.56 22.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.367 . . . . 0.0 110.773 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 2.7 Cg_endo -82.74 19.71 1.26 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.685 2.923 . . . . 0.0 112.382 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.77 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.813 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.4 m -91.46 -169.39 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.34 -170.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.813 ' H ' HG22 ' A' ' 37' ' ' THR . 43.0 p90 -153.49 157.86 40.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.673 ' HE3' HG12 ' A' ' 128' ' ' VAL . 66.8 t90 -110.53 137.54 48.08 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -121.99 148.43 44.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.016 0.436 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.653 HG21 ' HB3' ' A' ' 47' ' ' GLN . 3.0 m -91.97 159.58 15.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.773 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 p -76.75 1.75 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.86 12.63 68.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.784 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 70.1 mtm -92.27 101.61 14.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.649 -0.324 . . . . 0.0 110.571 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 120' ' ' SER . 86.7 m-85 -78.67 141.5 60.23 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.62 151.17 88.53 Favored 'Cis proline' 0 C--N 1.344 0.322 0 C-N-CA 123.579 -1.425 . . . . 0.0 111.887 -3.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.653 ' HB3' HG21 ' A' ' 41' ' ' THR . 33.7 mt-30 -106.91 115.6 30.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.89 152.7 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.487 0.661 . . . . 0.0 112.608 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -157.15 155.01 30.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.015 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.775 HG12 ' HG3' ' A' ' 115' ' ' ARG . 49.3 mt -120.49 141.71 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.463 HG12 HG12 ' A' ' 15' ' ' VAL . 46.8 mt -113.56 126.72 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.446 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 9.3 p -107.59 122.71 47.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.1 m-85 -81.06 -18.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.713 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 67.0 9.04 6.59 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.995 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HG3' HG13 ' A' ' 57' ' ' VAL . 48.6 pttt -158.89 157.42 31.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.996 -176.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -85.52 105.64 16.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 55' ' ' LYS . 17.9 m -112.55 162.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.109 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 38.7 ttm180 -105.5 112.75 25.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.768 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.408 HG21 ' HH2' ' A' ' 88' ' ' TRP . 87.3 mt -93.76 126.8 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.755 0.312 . . . . 0.0 110.924 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -107.88 -28.86 9.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.823 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 50.4 mtm180 -149.85 150.87 32.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.712 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.0 mp -120.36 107.57 13.09 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 132' ' ' SER . 61.8 t -90.72 101.07 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mt -111.84 132.78 59.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.34 0.59 . . . . 0.0 111.335 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 130' ' ' SER . 51.5 mt-30 -113.98 102.29 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.037 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -144.29 155.1 43.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.923 0.392 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -116.03 152.33 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.964 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 45.4 m-85 75.99 -31.46 0.2 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.09 0.869 . . . . 0.0 113.198 169.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 118' ' ' ILE . 58.7 t -53.09 135.72 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 122.685 0.394 . . . . 0.0 112.006 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 52.9 tt0 -115.91 -78.25 0.58 Allowed 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 175.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -90.45 101.31 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.365 0.602 . . . . 0.0 111.237 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.6 tp -108.68 110.15 21.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.468 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE2' ' OE1' ' A' ' 87' ' ' GLN . 12.3 tttt -96.37 115.84 28.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.722 HD12 HG13 ' A' ' 89' ' ' ILE . 22.6 mt -96.85 111.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.441 . . . . 0.0 110.876 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.746 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 1.4 tp10 -95.94 150.74 20.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.2 ptmm? -127.13 140.16 52.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.086 0.47 . . . . 0.0 110.754 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.786 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 63.1 m -127.17 137.0 52.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.97 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 p -114.96 15.29 17.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.414 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 t -94.12 178.7 5.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.445 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -80.62 -20.92 42.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.652 0.739 . . . . 0.0 109.557 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.691 ' HB2' HG22 ' A' ' 83' ' ' VAL . 37.7 mt-10 -107.62 160.85 25.16 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.648 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.24 35.54 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.068 2.512 . . . . 0.0 112.144 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.691 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.3 m -122.42 -179.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.349 -177.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t0 61.14 93.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.034 0.834 . . . . 0.0 109.843 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 47.8 m-85 -98.13 118.04 33.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.774 -168.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.771 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.435 ' OE1' ' HE2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.49 119.14 19.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.408 ' HH2' HG21 ' A' ' 59' ' ' ILE . 6.6 t90 -102.94 -83.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.865 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.722 HG13 HD12 ' A' ' 74' ' ' ILE . 8.8 pt -145.85 133.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.327 . . . . 0.0 111.624 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.5 133.8 52.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -131.11 144.91 51.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.049 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.3 p-10 -98.85 108.05 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.774 0.797 . . . . 0.0 108.957 171.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 tt -80.4 117.8 21.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.818 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.26 109.54 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -65.94 125.52 25.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.19 0.519 . . . . 0.0 111.178 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 16.6 p -81.01 117.81 21.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.964 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.7 116.26 16.23 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 120.863 0.364 . . . . 0.0 110.334 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.01 -22.88 8.62 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 119.986 -1.102 . . . . 0.0 112.965 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 48.3 mt-30 -100.23 139.47 35.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.821 0.343 . . . . 0.0 111.479 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.86 117.82 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -119.04 155.86 30.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.907 0.384 . . . . 0.0 110.968 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.83 104.99 14.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 171.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.33 120.17 32.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.626 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -92.8 103.14 15.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.96 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 68.4 mt -79.94 102.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 176.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -75.12 110.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.332 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.0 136.15 11.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.375 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -98.98 122.4 42.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 150.5 17.37 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.871 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 m -111.78 129.9 55.98 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.5 156.77 38.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.57 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -105.71 -24.74 12.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.128 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.786 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 66.0 m-85 -129.87 135.24 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.108 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 64.9 mt -114.75 121.4 43.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.775 ' HG3' HG12 ' A' ' 50' ' ' ILE . 31.0 ttt-85 -106.75 100.29 9.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.329 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.84 109.56 18.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.5 mt -107.1 100.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.452 HG23 HG13 ' A' ' 69' ' ' VAL . 49.1 mt -83.78 101.45 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.3 -48.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.765 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 44.5 m -150.28 167.5 26.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -148.24 168.61 22.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -75.62 -18.27 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.466 0.65 . . . . 0.0 109.721 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.36 -174.72 2.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -105.79 -17.19 14.45 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.48 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.85 126.96 55.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.679 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.48 127.83 53.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.9 t -127.73 127.44 43.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.673 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.1 p -101.97 137.72 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.192 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.56 -49.94 5.42 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.449 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . 19.9 m -160.04 145.33 15.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.13 149.67 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.651 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 30.6 t -150.77 152.1 33.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -126.59 125.09 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 41.0 mt-10 -99.97 133.16 44.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.049 0.452 . . . . 0.0 110.446 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.33 -145.7 10.05 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 2' ' ' ARG . 33.5 p -138.57 152.74 48.44 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.03 0.443 . . . . 0.0 110.988 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.57 118.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.969 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.2 t -86.9 -52.4 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.89 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.084 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 136' ' ' THR . 29.2 ptt180 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 62.51 47.74 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.398 0.618 . . . . 0.0 109.971 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 tt -95.16 142.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.908 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.38 91.43 2.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 57' ' ' VAL . 20.0 mt -82.63 10.75 6.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.661 -172.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 34.6 t -94.53 -3.57 49.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.693 0.282 . . . . 0.0 111.686 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 74.0 mt -87.18 149.9 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.281 0.562 . . . . 0.0 112.181 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 31' ' ' ILE . 8.5 p -67.51 -24.3 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.7 m -69.21 -18.05 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.51 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 59.3 mm-40 -89.8 -8.28 52.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.006 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.92 61.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.169 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -72.55 139.3 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 110.776 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -128.36 128.6 44.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.61 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.92 118.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.352 0.596 . . . . 0.0 110.087 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.605 HG23 ' HB ' ' A' ' 50' ' ' ILE . 11.2 tt -114.55 147.1 18.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.018 -174.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt 75.76 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.933 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.46 90.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.722 0.639 . . . . 0.0 111.91 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.157 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -114.87 135.83 53.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.022 0.439 . . . . 0.0 110.732 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.7 m -158.36 157.02 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.021 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 26.4 t70 -119.15 151.07 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -64.24 -41.53 96.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 -177.436 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 3.0 mptp? -97.83 -3.38 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 0.0 111.05 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.5 m80 -134.49 73.32 68.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -88.6 145.63 5.79 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.795 2.33 . . . . 0.0 113.106 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HA ' HG13 ' A' ' 30' ' ' ILE . 28.0 Cg_endo -65.46 -12.48 35.17 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.549 2.166 . . . . 0.0 111.312 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -60.63 -26.76 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.459 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 6.2 m-20 -93.02 2.04 56.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.776 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.503 HG13 ' HA ' ' A' ' 27' ' ' PRO . 57.3 mt -71.29 -40.39 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 9' ' ' SER . 19.0 pt -78.3 -12.77 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.275 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 18.6 t70 -70.15 -56.27 7.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.19 176.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.17 0.31 65.77 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.867 -0.682 . . . . 0.0 114.103 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -88.76 143.25 31.46 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 117.652 0.726 . . . . 0.0 110.762 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.03 18.83 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.601 2.867 . . . . 0.0 113.543 -175.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -72.45 -55.33 7.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.141 0.496 . . . . 0.0 110.922 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.3 p -131.81 122.8 26.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.786 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -103.34 164.33 11.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.627 ' HE3' HG12 ' A' ' 128' ' ' VAL . 90.7 t90 -87.6 129.66 35.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 0.0 110.855 -177.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -132.65 149.2 52.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.912 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 126' ' ' ALA . 8.1 t -88.51 161.57 16.91 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.24 0.543 . . . . 0.0 111.371 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -6.7 59.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.014 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.49 27.14 7.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.307 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 ttp -110.44 107.32 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.799 0.333 . . . . 0.0 110.733 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -107.19 146.0 32.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.237 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.42 155.3 81.61 Favored 'Cis proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.67 -1.388 . . . . 0.0 111.933 -1.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.518 HE21 HD12 ' A' ' 118' ' ' ILE . 12.1 pt20 -121.29 152.29 39.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.4 147.9 22.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.48 142.67 29.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.633 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.605 ' HB ' HG23 ' A' ' 16' ' ' ILE . 54.7 mt -111.12 135.0 51.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.667 0.27 . . . . 0.0 110.328 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.4 mt -112.79 118.71 58.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.989 0.424 . . . . 0.0 110.157 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 m -93.2 128.66 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.08 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 59' ' ' ILE . 81.7 m-85 -77.1 -26.67 53.59 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.187 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 69.04 1.02 3.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.793 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' HG13 ' A' ' 57' ' ' VAL . 51.5 pttt -150.08 -175.65 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -104.04 105.6 15.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.989 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HD22 ' A' ' 6' ' ' LEU . 12.0 m -128.61 169.9 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 0.0 110.895 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 9.2 ptm85 -130.39 137.84 50.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.242 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 79.6 mt -101.08 133.6 43.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -175.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.44 -37.53 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.442 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 54.8 ttp180 -151.64 150.93 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.147 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.4 129.98 52.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 51.5 t -91.14 102.25 13.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mm -107.68 111.63 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.312 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -122.64 102.15 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.113 0.482 . . . . 0.0 109.818 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.4 p -150.44 -177.4 5.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 100' ' ' LEU . 8.6 m-85 -141.13 157.02 45.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.321 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 76.58 -23.93 0.23 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 167.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.715 HG13 HG23 ' A' ' 118' ' ' ILE . 61.2 t -59.53 135.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -176.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.525 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 71.8 mt-30 -95.17 -81.39 0.4 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.235 0.54 . . . . 0.0 109.6 171.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -98.66 109.73 22.44 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.59 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.457 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.2 tp -104.44 111.85 24.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.184 177.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.796 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 22.2 mtpp -89.69 110.12 21.04 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.548 HD12 HG13 ' A' ' 89' ' ' ILE . 31.5 mt -100.5 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 136.27 36.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.113 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.8 ptmm? -106.91 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.472 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.778 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 48.4 t -111.55 144.22 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.48 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 3.8 m -132.47 23.22 4.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.901 0.858 . . . . 0.0 109.002 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.459 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 13.3 m -82.78 -178.24 7.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.121 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -85.58 -29.1 24.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 79' ' ' SER . 1.2 pm0 -99.18 159.81 29.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.931 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -79.05 32.91 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.0 2.467 . . . . 0.0 113.32 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 27.5 m -135.81 -173.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.159 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.31 73.75 0.46 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.633 0.583 . . . . 0.0 110.416 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 77' ' ' SER . 0.2 OUTLIER -123.13 161.82 23.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.451 -174.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.35 148.6 27.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.996 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.506 ' NE2' ' HB2' ' A' ' 90' ' ' GLU . 35.5 tp60 -64.23 99.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.58 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 11.1 t90 -87.36 -82.45 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.321 -176.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.548 HG13 HD12 ' A' ' 74' ' ' ILE . 8.5 pt -133.28 108.74 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.695 0.759 . . . . 0.0 111.137 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.506 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . 27.6 tt0 -89.13 96.74 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -100.34 114.65 28.33 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.044 -169.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.525 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.3 p-10 -97.05 143.61 27.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 171.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -126.1 169.98 12.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.754 0.311 . . . . 0.0 110.468 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.16 132.7 56.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -69.41 138.98 54.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 10.3 p -117.32 138.47 51.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.14 0.495 . . . . 0.0 111.888 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 118.34 36.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.769 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.63 30.84 63.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.875 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.708 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 41.6 tt0 -152.02 125.17 8.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.723 0.296 . . . . 0.0 110.267 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -86.46 123.18 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.15 91.47 7.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 111.627 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.13 95.01 7.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -103.04 106.47 17.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 9.8 pt-20 -85.81 99.02 11.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.882 0.849 . . . . 0.0 110.026 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mm -80.17 113.14 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.703 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 106' ' ' VAL . 6.1 p -83.25 87.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.023 0.916 . . . . 0.0 110.046 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.0 117.32 25.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.208 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -102.32 107.88 19.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.13 167.29 39.73 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.3 m -111.18 143.06 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.43 153.24 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 12.5 p -111.92 -27.44 8.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.789 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.778 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 96.9 m-85 -131.55 126.38 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.948 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 54.5 mt -114.78 124.27 51.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.506 ' HG3' HG12 ' A' ' 50' ' ' ILE . 66.7 ttt180 -106.52 105.57 15.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 72' ' ' LEU . 42.3 m-85 -89.11 106.66 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.796 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 49.5 mt -107.97 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.017 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.715 HG23 HG13 ' A' ' 69' ' ' VAL . 49.6 mt -88.7 96.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.51 -51.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -133.17 154.33 50.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.693 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.95 158.74 43.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.082 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.0 -6.94 54.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.064 0.459 . . . . 0.0 110.237 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -135.5 177.3 7.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -84.27 -21.81 30.96 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -110.72 122.38 47.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.286 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.421 ' HB3' HE22 ' A' ' 47' ' ' GLN . . . -112.82 108.77 17.88 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.6 p -112.3 133.92 54.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.672 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -103.59 133.81 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -97.32 -47.29 5.77 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.241 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.8 p -157.35 132.09 8.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 0.0 111.317 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 17.5 m -133.3 146.3 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.472 173.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 44.0 m -150.67 139.71 21.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.231 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.49 112.21 25.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -97.03 115.57 27.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.372 0.606 . . . . 0.0 110.672 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -160.05 -143.67 3.74 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.161 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 2' ' ' ARG . 24.5 p -136.67 145.38 44.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.816 0.341 . . . . 0.0 110.658 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.59 99.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.41 -45.94 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.241 0.543 . . . . 0.0 109.706 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 172.581 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.726 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.7 ptm180 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.581 0.705 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -152.17 92.58 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -142.15 141.74 28.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.142 -173.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.41 86.17 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.466 HD13 ' HB ' ' A' ' 57' ' ' VAL . 90.9 mt -71.94 -7.19 47.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -170.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 73.7 m -93.82 -4.14 50.69 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 38.7 mt -69.52 148.83 48.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.959 0.409 . . . . 0.0 111.632 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -69.69 -20.78 63.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -71.74 -20.79 61.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 54.2 mm-40 -93.57 10.84 30.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.051 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.73 15.9 78.48 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.218 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -85.44 141.86 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.056 0.428 . . . . 0.0 110.118 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.35 153.71 48.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.045 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG12 HG12 ' A' ' 51' ' ' ILE . 28.5 m -106.95 145.21 14.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 17' ' ' LEU . 15.8 tt -131.59 156.42 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.931 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.723 HD12 HG12 ' A' ' 16' ' ' ILE . 10.1 mp 74.02 -90.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.64 0.776 . . . . 0.0 110.344 -174.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.09 93.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.847 0.717 . . . . 0.0 111.921 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.508 ' HB ' ' NE2' ' A' ' 47' ' ' GLN . 4.3 m -58.29 -20.4 42.46 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB3' HG23 ' A' ' 42' ' ' THR . 45.9 m -124.42 129.71 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.414 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -153.26 133.29 13.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.502 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 16.1 t70 -116.63 156.11 27.61 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -80.18 -38.45 31.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.978 0.418 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HD3' ' H ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -82.17 -29.76 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 m-70 -111.08 83.58 3.89 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 174.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.764 ' HD2' HG21 ' A' ' 37' ' ' THR . 89.9 Cg_endo -80.1 147.95 18.97 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.403 2.069 . . . . 0.0 112.713 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.79 5.66 1.27 Allowed 'Trans proline' 0 C--O 1.223 -0.263 0 C-N-CA 123.435 2.757 . . . . 0.0 112.725 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.48 -25.64 30.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.05 0.453 . . . . 0.0 110.584 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 29' ' ' ASN . 3.0 m120 -85.09 -17.5 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 tt -73.03 -31.82 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.433 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 7' ' ' CYS . 1.1 mt -63.47 -40.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.468 0.651 . . . . 0.0 110.217 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 -20.8 19.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.137 -174.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.25 50.75 6.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.084 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -86.38 119.84 71.78 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.536 0.208 . . . . 0.0 110.878 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.63 -20.22 56.8 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.19 2.594 . . . . 0.0 112.85 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.71 -32.53 74.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.764 HG21 ' HD2' ' A' ' 26' ' ' PRO . 98.2 m -141.42 115.34 9.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.208 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -97.76 142.79 29.1 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -99.9 139.73 35.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 125' ' ' PHE . 14.8 t -147.08 165.59 29.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.579 ' OG1' ' HA ' ' A' ' 125' ' ' PHE . 55.5 p -76.46 142.5 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.698 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 20' ' ' SER . 11.8 p -82.94 2.24 35.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 0.0 111.364 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.92 -16.51 18.3 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.92 -0.657 . . . . 0.0 113.18 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -87.97 105.01 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 111.43 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 93.3 m-85 -106.92 148.85 37.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.163 175.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 17.3 Cg_exo -68.03 155.7 87.7 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.889 -1.296 . . . . 0.0 112.886 -0.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.615 ' HB3' ' HB ' ' A' ' 118' ' ' ILE . 48.3 tp60 -107.02 127.76 53.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.194 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.11 129.36 56.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -148.27 127.92 13.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.474 . . . . 0.0 110.018 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' A' ' 16' ' ' ILE . 51.6 mt -106.78 127.71 62.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.612 HG12 HG12 ' A' ' 15' ' ' VAL . 53.3 mt -105.79 119.83 55.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.0 t -94.46 127.24 40.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.561 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 84.1 m-85 -67.08 -24.53 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 64.29 21.96 12.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.421 0.629 . . . . 0.0 109.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 20.0 pttm -168.19 176.7 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.666 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 139' ' ' SER . 54.2 m80 -105.07 109.42 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 137' ' ' VAL . 17.5 m -128.32 164.34 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.877 0.37 . . . . 0.0 111.519 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -123.5 124.07 42.03 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 75.4 mt -90.12 138.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.109 -172.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -103.08 -49.9 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.972 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 28.6 mtm180 -141.73 157.31 45.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 0.0 110.823 176.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.57 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 84.8 mt -109.99 133.05 53.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.033 174.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.553 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 99.0 t -114.24 105.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.635 HG23 HG12 ' A' ' 131' ' ' VAL . 10.7 mt -118.07 114.56 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.793 -175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -100.82 102.25 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.603 ' HB2' HG21 ' A' ' 69' ' ' VAL . 25.5 p -130.89 142.45 50.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.718 0.294 . . . . 0.0 110.964 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -110.53 141.88 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.844 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 67.39 -99.64 0.05 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.78 0.675 . . . . 0.0 110.748 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.825 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.5 t 48.95 -151.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.575 0.547 . . . . 0.0 109.754 -176.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.825 ' H ' HG12 ' A' ' 69' ' ' VAL . 63.5 tt0 172.68 -73.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 109.397 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -116.39 104.58 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.995 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 tp -110.36 114.53 28.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 64.8 tttp -94.08 111.37 23.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.4 mt -93.17 102.75 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -102.85 136.73 42.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 86' ' ' GLU . 17.2 ptmt -106.65 150.91 25.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.419 -173.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.575 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 35.1 t -143.01 145.16 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.7 p -120.57 19.93 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.1 m -90.61 170.45 10.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.449 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -88.94 -24.89 22.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.677 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.4 mp0 -91.86 156.03 42.89 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.79 36.89 0.54 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.561 2.174 . . . . 0.0 112.394 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.5 m -132.08 170.77 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 65.31 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.587 0.755 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -114.04 162.4 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.197 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 34.0 tt0 -141.54 135.79 30.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.026 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.14 134.29 52.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CZ2' ' HB1' ' A' ' 107' ' ' ALA . 7.4 t90 -130.98 -74.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -139.85 108.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.68 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE2' ' HG3' ' A' ' 73' ' ' LYS . 7.5 mp0 -97.53 118.41 33.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 170.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -108.67 113.06 25.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.045 0.45 . . . . 0.0 111.227 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.99 104.51 14.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.4 159.46 15.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 112.246 -170.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.93 137.19 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.656 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -61.84 105.46 0.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.324 0.39 . . . . 0.0 111.643 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -77.81 125.09 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.642 171.078 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.32 119.72 39.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.611 -173.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.47 27.73 72.83 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.773 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -149.39 135.24 18.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.544 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.24 100.09 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.309 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 96' ' ' THR . 54.6 tt0 -86.12 108.52 18.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.768 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.48 128.6 34.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.884 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.29 94.96 9.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.135 0.493 . . . . 0.0 110.616 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 42.9 mt-10 -88.24 97.04 10.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.027 172.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -100.62 120.97 50.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.65 -171.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 m -73.03 104.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' HB1' ' CZ2' ' A' ' 88' ' ' TRP . . . -137.86 103.3 4.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.492 -170.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 m-70 -98.99 110.18 22.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.147 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.24 157.24 29.56 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.417 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -107.87 132.9 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.04 154.82 31.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.992 0.425 . . . . 0.0 111.216 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.3 p -110.27 -37.26 5.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.987 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 87.7 m-85 -122.4 134.2 54.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.99 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 76' ' ' LYS . 57.6 mt -120.39 124.96 46.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 172.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.16 105.88 16.12 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -83.64 107.4 16.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.473 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.3 mt -101.12 102.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.96 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.615 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 39.8 mt -82.04 94.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.764 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 7.7 t -157.34 157.21 33.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.079 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.45 159.19 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.069 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -70.62 -21.15 62.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.252 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -130.84 -172.36 2.8 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -84.96 -26.09 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.579 ' HA ' ' OG1' ' A' ' 41' ' ' THR . 45.3 p90 -118.78 122.38 42.28 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.47 0.653 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.51 110.77 22.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.126 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.7 m -104.89 120.34 41.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.071 0.462 . . . . 0.0 110.914 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -103.97 128.14 57.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.18 -44.88 13.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.328 -173.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.4 p -161.4 148.84 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.177 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 64' ' ' ILE . 10.6 m -131.1 134.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.639 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.553 ' OG ' ' HB ' ' A' ' 63' ' ' VAL . 62.1 p -141.39 137.69 32.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.919 0.39 . . . . 0.0 111.364 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.42 102.98 12.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 58.0 mt-10 -94.22 125.36 38.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.271 0.558 . . . . 0.0 110.654 -173.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.78 -126.46 1.01 Allowed Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.749 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -146.53 149.73 34.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.912 0.387 . . . . 0.0 111.927 -178.137 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 57' ' ' VAL . 29.7 m -88.52 146.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.84 -32.74 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.648 0.737 . . . . 0.0 109.575 175.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 56' ' ' HIS . 5.3 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.503 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.972 ' HA ' HG22 ' A' ' 136' ' ' THR . 51.9 mtp180 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.578 0.228 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.45 79.13 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.473 0.654 . . . . 0.0 109.489 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.6 tt -113.45 141.55 28.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.085 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HB3' ' HG ' ' A' ' 8' ' ' LEU . 6.9 m-20 -70.78 95.86 1.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.396 0.617 . . . . 0.0 110.436 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 22.1 mt -75.27 -15.01 60.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.521 -168.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 79.8 m -94.12 -3.35 51.21 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.977 -0.452 . . . . 0.0 112.217 -174.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 5' ' ' ASP . 16.9 mt -77.02 158.99 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -62.38 -29.03 70.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.108 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 p -66.03 -26.28 67.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.113 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.83 -0.7 57.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.29 9.21 85.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.19 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 118.95 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 110.293 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -103.48 153.23 20.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.044 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 HG12 ' A' ' 51' ' ' ILE . 34.6 m -92.22 149.47 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.04 0.448 . . . . 0.0 110.56 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 50' ' ' ILE . 14.9 tt -139.7 152.78 22.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tt 73.67 -88.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.751 0.821 . . . . 0.0 110.142 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.18 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.716 0.635 . . . . 0.0 111.773 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.949 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -107.57 109.61 21.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.21 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 p -128.27 103.46 7.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.438 0.637 . . . . 0.0 110.653 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 18.1 t0 -92.48 150.44 20.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.043 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.72 -25.42 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.284 0.564 . . . . 0.0 110.045 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -91.82 -17.01 25.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.201 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.0 m80 -138.76 72.44 41.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.436 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 46.9 Cg_endo -70.87 149.33 59.63 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.109 1.873 . . . . 0.0 112.003 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 35.3 Cg_exo -61.81 -13.27 29.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.134 2.556 . . . . 0.0 112.221 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -63.26 -21.93 66.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -76.13 -12.08 60.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.565 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 130' ' ' SER . 56.0 mt -70.13 -23.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.721 0.772 . . . . 0.0 109.442 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -111.93 -106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.608 172.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 71.93 -51.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.301 0.64 . . . . 0.0 112.58 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.39 -25.83 18.52 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.781 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.87 142.36 41.94 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 117.541 0.671 . . . . 0.0 111.179 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.652 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 88.1 Cg_endo -85.5 8.2 4.7 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.881 2.387 . . . . 0.0 112.898 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -90.42 -65.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.839 -175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -91.38 145.58 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.633 0.254 . . . . 0.0 111.025 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -138.62 177.67 7.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.672 ' HE3' HG12 ' A' ' 128' ' ' VAL . 87.2 t90 -110.51 136.24 49.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.618 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.9 t -137.16 145.31 43.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 44' ' ' MET . 6.2 m -88.66 135.93 33.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.569 -178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -81.62 39.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.042 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 10.99 82.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.728 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.425 ' H ' HG22 ' A' ' 41' ' ' THR . 27.8 ttt -83.92 88.18 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 94.1 m-85 -106.59 133.7 20.14 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.415 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 5.8 Cg_endo -86.39 153.18 48.52 Favored 'Cis proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.502 -1.457 . . . . 0.0 112.056 -1.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.506 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 1.6 pm0 -107.02 138.21 43.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.094 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -129.57 129.57 44.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.45 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -144.64 145.6 31.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.007 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 16' ' ' ILE . 52.1 mt -119.67 137.08 54.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.19 -176.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.596 HG12 HG12 ' A' ' 15' ' ' VAL . 57.0 mt -115.65 122.11 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 10.1 p -100.03 126.88 46.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.87 -25.35 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.47 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.3 t60 69.0 14.03 8.82 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.502 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 139' ' ' SER . 51.2 pttt -163.67 -175.33 4.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.116 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -96.32 116.64 29.36 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.713 -175.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 166.6 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 138' ' ' VAL . 98.5 mtt180 -127.48 124.42 38.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.188 171.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 72.7 mt -89.72 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.882 -177.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 108' ' ' HIS . 5.8 tp10 -119.89 -38.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 27.3 mtp-105 -144.05 170.98 14.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 95.9 mt -130.39 134.08 46.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.833 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -123.02 104.65 14.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.763 HG23 HG12 ' A' ' 131' ' ' VAL . 16.9 mt -119.46 135.98 58.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.92 0.39 . . . . 0.0 111.405 -172.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.04 102.88 10.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' HD22 ' A' ' 93' ' ' LEU . 17.8 m -131.84 166.52 21.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.767 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 17.9 m-85 -122.22 140.45 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 174.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 65.7 -99.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.392 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 72' ' ' LEU . 48.6 t 48.34 93.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 123.747 0.654 . . . . 0.0 112.684 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 121' ' ' ALA . 26.2 tt0 -85.25 -47.83 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 110.072 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -130.27 105.93 8.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.253 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 38.7 tp -109.34 109.71 20.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.405 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 84.5 tttt -89.9 107.97 19.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.557 ' HB ' HG13 ' A' ' 89' ' ' ILE . 57.8 mt -92.52 100.33 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 19.2 tt0 -96.01 136.92 35.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.568 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 18.6 ttmt -106.62 135.57 47.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.704 -173.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.747 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 46.4 m -131.37 126.62 35.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.74 18.67 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 0.0 110.32 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -83.09 179.4 7.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.221 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.665 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 13.4 ptmm? -76.41 -24.58 54.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.636 0.731 . . . . 0.0 109.831 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.665 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 42.6 mt-10 -119.23 171.4 5.43 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.642 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.22 45.35 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.051 2.5 . . . . 0.0 112.455 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.57 -173.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.874 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.41 88.83 0.1 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.507 0.67 . . . . 0.0 109.374 -174.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 40.2 m-85 -109.09 112.23 24.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.703 -170.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.79 141.91 49.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -77.3 101.26 6.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.615 0.721 . . . . 0.0 109.534 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 10.6 t90 -75.31 -60.8 2.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.128 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.557 HG13 ' HB ' ' A' ' 74' ' ' ILE . 1.5 pt -149.09 103.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.193 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 1.0 OUTLIER -83.04 97.08 8.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.573 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -100.6 175.03 5.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.739 0.781 . . . . 0.0 112.174 -172.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -140.22 122.46 15.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.256 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 66' ' ' SER . 52.3 tp -91.28 106.28 18.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.13 0.491 . . . . 0.0 110.329 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -81.38 98.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -70.91 121.07 17.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -174.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -71.39 136.95 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.307 175.233 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.64 116.31 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.343 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.67 24.02 70.95 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.37 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.713 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 44.7 tt0 -140.5 146.99 38.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 1.7 tt -84.0 115.39 22.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -87.73 102.68 14.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.844 0.354 . . . . 0.0 110.116 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.42 130.37 42.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 53.1 tt0 -92.2 93.57 8.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.766 0.793 . . . . 0.0 109.756 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.37 108.93 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.181 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 60.9 mt -121.65 135.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.601 -176.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.02 89.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.53 111.59 13.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.875 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.577 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 13.7 p-80 -121.28 114.4 21.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.0 111.531 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.14 169.1 40.78 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.008 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m -94.28 129.7 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.175 0.488 . . . . 0.0 110.155 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.37 151.61 31.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.722 0.296 . . . . 0.0 110.614 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -108.49 -35.65 6.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.48 0.657 . . . . 0.0 110.049 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.747 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 70.2 m-85 -124.28 137.58 54.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.793 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.47 116.99 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -106.78 103.74 13.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.71 117.54 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.525 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.6 mt -116.79 108.14 24.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.8 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.506 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 42.7 mt -89.59 118.16 34.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 58.4 t -81.05 -46.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.9 t -160.2 164.63 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' A' ' 70' ' ' GLN . . . -130.88 178.88 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.16 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -85.47 -5.65 59.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 110.415 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.62 176.02 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -78.9 -7.51 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.97 158.17 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.6 135.2 34.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.592 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -133.67 143.11 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.024 0.44 . . . . 0.0 111.433 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.672 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.7 p -134.19 137.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.652 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 11.3 t-80 -91.25 -65.03 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.231 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 44.0 m -149.3 138.56 21.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 64' ' ' ILE . 35.8 m -110.74 141.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.086 172.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.607 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 39.4 m -144.29 150.92 38.63 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -128.13 139.03 52.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 45.6 mt-10 -94.18 156.24 16.65 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 150.28 -154.97 25.98 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.634 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 2' ' ' ARG . 34.2 p -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.668 0.27 . . . . 0.0 110.439 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.44 114.96 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.344 0.593 . . . . 0.0 110.418 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 43.6 t -72.86 -41.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.796 0.808 . . . . 0.0 109.514 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 5.2 m . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.026 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 120.992 0.425 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -155.47 137.63 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.104 -175.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 2.0 m-20 -64.95 96.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.467 178.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 57' ' ' VAL . 95.3 mt -80.85 -4.28 54.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.577 ' O ' HD13 ' A' ' 31' ' ' ILE . 75.6 m -90.47 -3.8 57.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.736 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 5' ' ' ASP . 50.5 mt -58.2 140.41 53.09 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.176 0.512 . . . . 0.0 111.563 -176.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -18.32 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.843 174.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -80.76 -10.03 59.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.047 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -101.77 -1.53 32.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.763 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.22 19.72 48.83 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.95 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -97.04 134.72 40.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.361 . . . . 0.0 110.045 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 147.17 47.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.259 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.695 HG12 HG12 ' A' ' 51' ' ' ILE . 7.9 m -95.74 106.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.849 0.833 . . . . 0.0 110.66 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.494 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.9 tt -95.77 161.91 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.385 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' N ' HG12 ' A' ' 16' ' ' ILE . 3.8 tp 76.16 -101.34 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.159 0.584 . . . . 0.0 110.924 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 59.48 111.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 112.049 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -58.42 -28.55 65.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.79 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.406 ' HB3' HG23 ' A' ' 42' ' ' THR . 60.9 m -137.53 81.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.059 0.456 . . . . 0.0 111.52 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -90.44 126.9 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.708 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 12.1 t70 -92.39 146.92 23.31 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -28.73 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -172.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.708 ' HG2' ' OD1' ' A' ' 22' ' ' ASP . 22.1 pttm -89.23 -29.0 19.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.495 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 2.1 t60 -130.36 88.4 47.65 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.544 171.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 35.6 Cg_endo -63.69 156.86 54.91 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.815 2.343 . . . . 0.0 112.561 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.457 ' O ' HG22 ' A' ' 30' ' ' ILE . 17.2 Cg_exo -67.84 5.6 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.585 2.857 . . . . 0.0 113.478 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.0 -24.9 64.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 29' ' ' ASN . 1.5 m120 -81.0 1.93 29.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG23 HG13 ' A' ' 31' ' ' ILE . 9.3 tt -79.56 -7.96 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 109.43 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 7' ' ' CYS . 23.7 mt -137.93 -96.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.618 172.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 68.43 -53.65 0.54 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.321 1.048 . . . . 0.0 112.484 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.16 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.948 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 4.1 m120 -89.62 128.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 6.0 Cg_exo -80.19 19.59 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.952 2.434 . . . . 0.0 112.729 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.948 ' HG2' ' HB3' ' A' ' 34' ' ' ASN . 13.1 mm-40 -65.15 -52.57 54.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.998 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.733 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -141.08 -173.06 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.934 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.733 ' H ' HG22 ' A' ' 37' ' ' THR . 10.3 p90 -149.21 -178.32 6.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.545 0.212 . . . . 0.0 110.732 -176.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -103.48 131.28 50.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 t -116.47 166.03 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.627 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.45 ' HA ' HE22 ' A' ' 47' ' ' GLN . 67.8 p -89.39 153.84 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -176.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.406 HG23 ' HB3' ' A' ' 20' ' ' SER . 37.6 p -82.66 -29.87 29.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 174.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.36 22.22 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.322 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.61 68.46 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -76.2 152.94 84.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.464 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.798 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 72.0 Cg_endo -79.59 138.27 46.36 Favored 'Cis proline' 0 C--O 1.234 0.278 0 C-N-CA 123.323 -1.532 . . . . 0.0 112.607 -0.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 41' ' ' THR . 6.8 mt-30 -108.17 131.55 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 10.8 pt-20 -124.33 157.23 35.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.658 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -148.45 145.68 28.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.853 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' HB ' HG23 ' A' ' 16' ' ' ILE . 70.8 mt -114.28 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.393 -174.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.695 HG12 HG12 ' A' ' 15' ' ' VAL . 24.9 mt -93.84 122.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 t -102.8 120.98 41.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.2 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.0 m-85 -76.74 -24.22 53.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.768 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 65.58 6.79 4.0 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.248 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 57' ' ' VAL . 53.0 pttt -155.49 169.19 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.878 ' HB3' ' HB3' ' A' ' 139' ' ' SER . 10.8 t60 -98.05 105.79 17.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.06 0.457 . . . . 0.0 110.32 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.634 ' HB ' HD13 ' A' ' 6' ' ' LEU . 23.5 m -112.86 154.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.999 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 52.2 ttp180 -100.24 111.91 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.8 mt -90.64 125.76 43.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.953 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -123.57 -13.47 7.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.611 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.497 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 5.8 mmt180 -148.8 157.81 43.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.038 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.777 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 7.4 mp -131.43 132.69 44.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.91 102.23 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 HG12 ' A' ' 131' ' ' VAL . 20.0 mm -100.71 101.64 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.037 -177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -99.66 101.99 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.632 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 p -159.24 166.94 30.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 80.4 m-85 -118.88 147.77 43.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.127 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 64.27 -137.0 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.438 0.461 . . . . 0.0 110.431 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.698 ' HB ' HD12 ' A' ' 93' ' ' LEU . 57.7 t 71.58 121.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.34 0.59 . . . . 0.0 111.213 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -97.45 -72.59 0.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 30.2 m -108.12 107.28 17.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 0.0 110.965 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD11 ' HD2' ' A' ' 116' ' ' PHE . 55.4 tp -108.09 109.41 20.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.277 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.627 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 68.7 mttm -89.91 120.57 31.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.898 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 89' ' ' ILE . 31.1 mt -106.72 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -96.16 147.94 23.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.893 178.483 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 10.2 ptmm? -123.62 154.68 38.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.023 0.44 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 30.2 t -138.94 143.15 38.49 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -112.16 14.18 20.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.34 0.59 . . . . 0.0 110.417 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 t -87.99 -176.41 5.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.739 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 50.8 mtpt -103.78 -10.15 18.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.254 0.55 . . . . 0.0 110.023 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 30.4 tt0 -106.6 141.9 23.79 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.757 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 16.0 Cg_exo -70.13 44.72 0.46 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.37 2.713 . . . . 0.0 113.477 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.99 173.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.462 0.172 . . . . 0.0 110.631 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 55.6 69.15 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.844 0.715 . . . . 0.0 111.675 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.76 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 96.4 m-85 -94.15 141.15 28.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.362 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -117.24 130.9 56.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.903 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.576 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt0 -59.69 123.02 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.35 -173.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 12.0 t90 -94.61 -67.26 0.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.645 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 74' ' ' ILE . 6.1 pt -144.72 137.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.189 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.22 123.44 46.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -119.62 139.81 51.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 0.0 111.176 -170.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.26 145.9 40.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.698 HD12 ' HB ' ' A' ' 69' ' ' VAL . 97.4 mt -117.75 174.35 6.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.641 0.258 . . . . 0.0 110.474 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.9 143.62 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -77.48 99.42 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.074 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.992 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 11.9 p -128.7 126.09 39.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.015 0.436 . . . . 0.0 111.926 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.98 117.35 26.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.82 8.31 67.94 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.683 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.992 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 86.5 mm-40 -112.78 110.93 21.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -82.87 106.34 14.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -88.39 96.9 10.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -82.4 107.56 15.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 14.8 mm-40 -92.09 115.57 28.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.457 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mm-40 -86.57 103.42 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.385 173.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.777 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 75.3 mt -103.02 117.43 48.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.99 92.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.063 0.935 . . . . 0.0 110.311 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -126.64 118.88 25.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.3 p80 -108.1 108.31 19.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -174.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.03 -172.09 32.08 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.852 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.6 m -137.01 137.11 39.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -155.1 158.89 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.687 0.28 . . . . 0.0 110.836 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.0 p -109.71 -31.07 7.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.6 m-85 -127.27 131.01 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.128 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.5 mt -115.31 123.45 48.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.478 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.464 ' HD2' ' CD2' ' A' ' 85' ' ' PHE . 76.4 ttt180 -106.54 102.45 11.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -177.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.3 m-85 -90.84 110.48 21.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.206 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.627 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 58.0 mt -107.52 107.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.518 HG23 HG13 ' A' ' 69' ' ' VAL . 47.8 mt -90.87 99.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.798 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 50.7 t -67.86 -45.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.203 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.6 t -158.1 175.15 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.03 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.02 174.62 11.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.09 -15.31 58.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 0.0 110.46 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.55 162.14 33.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -70.65 -20.18 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.551 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.5 122.29 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.94 16.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.716 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 t -135.96 126.51 26.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.427 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.56 125.48 59.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.605 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 20.0 t-80 -85.33 -46.47 10.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.412 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.8 m -161.19 134.2 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.964 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 64' ' ' ILE . 3.1 m -115.57 90.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.43 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 20.9 m -95.07 153.64 17.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.595 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.11 119.81 37.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 61.3 mt-10 -102.83 149.97 23.96 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.316 0.579 . . . . 0.0 111.084 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 156.73 -137.64 5.54 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -176.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 p -145.35 153.99 41.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.182 0.491 . . . . 0.0 110.684 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.57 118.22 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.562 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.69 -38.3 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.691 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.878 ' HB3' ' HB3' ' A' ' 56' ' ' HIS . 21.3 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.611 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 2' ' ' ARG . 41.0 ttp180 . . . . . 0 C--O 1.231 0.106 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt 58.71 41.3 22.13 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.831 0.824 . . . . 0.0 110.099 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 tt -95.41 141.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.588 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -65.23 107.19 1.51 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' HB ' ' A' ' 57' ' ' VAL . 37.0 mt -90.17 -8.96 49.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.1 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -94.47 -16.44 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.956 0.408 . . . . 0.0 110.985 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.426 HD22 ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -60.86 140.62 57.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.622 -175.793 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.2 p -63.3 -17.39 62.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.147 177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.426 ' OG ' HD22 ' A' ' 8' ' ' LEU . 8.4 m -71.24 -17.38 62.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.33 0.586 . . . . 0.0 109.949 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -97.12 -1.15 45.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 12.75 72.87 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.859 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.8 m -72.16 133.86 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.489 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -111.83 153.0 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.668 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 27' ' ' PRO . 14.9 m -101.87 140.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.059 174.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.942 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.6 tt -130.93 146.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -175.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.5 tt 71.8 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.802 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.42 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.71 0.631 . . . . 0.0 111.814 -173.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -40.75 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.572 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 m -92.15 89.35 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -120.5 117.46 27.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.61 151.52 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.423 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.79 -30.69 32.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.941 0.401 . . . . 0.0 110.32 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.13 -22.03 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.077 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -131.44 76.39 75.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.754 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 6.2 Cg_exo -79.72 156.91 24.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.273 2.649 . . . . 0.0 112.341 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.7 Cg_exo -67.69 -7.36 19.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.371 2.714 . . . . 0.0 113.78 -175.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -11.57 47.43 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.497 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -70.23 -16.23 63.02 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.233 173.305 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 39' ' ' TRP . 47.4 mt -56.75 -56.3 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 9' ' ' SER . 0.7 OUTLIER -84.05 -91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.559 173.36 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 32.5 t70 74.26 -51.18 0.68 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 165.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.28 18.03 10.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.202 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' OG1' ' A' ' 37' ' ' THR . 52.5 m-80 -134.6 138.18 29.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 13.2 Cg_exo -71.49 -29.42 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.769 2.313 . . . . 0.0 112.447 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -83.16 -16.87 44.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.649 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 34' ' ' ASN . 8.3 p -91.35 139.09 31.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.237 -0.29 . . . . 0.0 110.235 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -154.0 167.25 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.418 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.6 t90 -119.2 140.57 49.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -133.51 165.92 23.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -100.07 141.76 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p -87.84 24.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.87 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.88 -0.69 87.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.619 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 ttt -76.88 85.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.61 0.243 . . . . 0.0 110.682 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 96.7 m-85 -106.92 128.74 25.53 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.357 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 92.3 Cg_endo -88.05 154.62 39.52 Favored 'Cis proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.217 -1.576 . . . . 0.0 112.715 -0.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.736 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -127.64 175.4 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.772 176.221 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.59 144.4 25.25 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.988 0.423 . . . . 0.0 111.018 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.942 ' HB ' HG23 ' A' ' 16' ' ' ILE . 19.2 mt -105.83 129.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -114.06 120.95 65.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.1 p -103.56 133.03 49.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.078 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 98.0 m-85 -70.69 -13.0 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.278 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 69.55 9.43 7.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.018 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 139' ' ' SER . 45.1 pttt -168.28 -176.3 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.324 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.96 117.67 30.03 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.527 ' HB ' HD13 ' A' ' 6' ' ' LEU . 21.5 m -131.97 168.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.082 0.467 . . . . 0.0 111.639 -176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.528 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 55.3 mtt-85 -118.97 125.3 49.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.004 172.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -97.97 127.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -120.83 -34.35 3.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.768 0.318 . . . . 0.0 110.602 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 mtp-105 -146.36 141.59 27.39 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.385 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -110.16 115.8 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 58.9 t -91.13 100.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 131' ' ' VAL . 35.7 mt -115.62 115.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.473 0.654 . . . . 0.0 111.936 -174.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HG3' HD21 ' A' ' 100' ' ' LEU . 47.2 tt0 -96.46 102.79 14.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.44 171.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 p -122.05 153.61 38.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.199 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 m-85 -135.97 138.13 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.681 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 72.39 -10.75 0.88 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.878 0.736 . . . . 0.0 112.414 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.61 144.08 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -113.82 -63.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 109.662 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -119.38 105.32 11.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 118' ' ' ILE . 41.6 tp -108.95 104.63 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -89.78 121.01 31.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.673 HD12 HG13 ' A' ' 89' ' ' ILE . 43.4 mt -100.09 107.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 14.3 mt-10 -95.72 134.52 38.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 19.0 ttmt -106.96 131.09 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.507 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 75.4 m -131.33 130.04 42.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.834 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -117.21 27.48 9.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.603 0.716 . . . . 0.0 109.669 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -94.76 -178.68 4.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.834 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 24.0 pttm -77.49 -24.93 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.597 0.713 . . . . 0.0 109.892 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 14.3 mt-10 -119.15 158.16 49.03 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.82 70.43 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.976 1.784 . . . . 0.0 111.272 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.83 159.81 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.555 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.78 85.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.378 0.609 . . . . 0.0 110.195 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 93.9 m-85 -107.99 110.05 21.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 -176.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.59 142.1 30.2 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -73.08 96.43 2.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 109.33 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.51 -67.04 0.76 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.084 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.673 HG13 HD12 ' A' ' 74' ' ' ILE . 4.4 pt -145.32 115.03 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.922 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -91.74 119.22 31.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 172.722 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -99.77 123.4 43.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.394 0.616 . . . . 0.0 111.635 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -94.8 120.98 35.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.804 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -107.08 145.31 32.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.721 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.69 143.99 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -66.97 103.77 1.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.665 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 40.2 p -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.082 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.16 124.37 48.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.56 -24.37 3.74 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.006 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 58.8 tt0 -96.07 111.17 23.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 110.211 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.0 tt -82.59 109.22 16.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -85.67 94.73 9.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.306 0.574 . . . . 0.0 111.553 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.11 97.37 10.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -92.29 116.06 28.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 111.468 -171.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -80.1 98.39 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.475 173.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 72.1 mt -90.47 97.88 7.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.87 0.367 . . . . 0.0 110.601 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.63 100.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 110.15 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.58 117.49 12.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.391 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -98.99 112.75 24.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -174.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 -174.18 36.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.4 m -136.7 139.72 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.36 155.94 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.7 p -109.99 -33.79 6.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.061 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 93.0 m-85 -127.3 128.29 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.095 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.4 mt -115.03 125.61 53.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.557 ' CG ' HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -106.45 103.44 12.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 72' ' ' LEU . 50.3 m-85 -85.98 112.22 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.197 177.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.9 mt -111.42 110.67 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.736 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 50.6 mt -84.24 93.89 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.5 t -64.52 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.005 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.8 m -156.41 157.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.99 167.03 21.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -86.17 -14.64 43.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.966 0.412 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -120.86 171.27 8.74 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.932 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -11.19 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.796 0.332 . . . . 0.0 111.032 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -136.31 154.16 50.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.693 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.07 139.01 28.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -131.09 147.34 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.239 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.418 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.8 p -135.2 155.04 36.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -131.13 -63.7 0.84 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.214 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -110.74 105.12 13.87 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.556 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.633 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -119.02 90.76 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.069 171.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 49.8 m -100.16 146.22 27.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.323 -172.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -114.35 109.12 17.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -94.43 119.88 33.82 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -169.69 -131.43 1.32 Allowed Glycine 0 N--CA 1.437 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.84 177.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.3 p -140.49 171.15 14.53 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 57' ' ' VAL . 16.1 m -108.24 126.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.175 0.512 . . . . 0.0 110.917 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.73 -40.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 47.9 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.666 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.356 0.122 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 18.4 pttp -135.3 105.53 6.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.863 0.839 . . . . 0.0 110.614 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.2 tt -111.09 154.29 12.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.156 175.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.74 105.12 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 109.982 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 35.4 mt -90.66 11.36 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.132 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -93.05 -3.5 54.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.41 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 30.0 mt -87.95 143.58 27.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.335 0.588 . . . . 0.0 111.388 -172.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' HB3' HG13 ' A' ' 31' ' ' ILE . 52.8 p -73.66 -17.31 61.16 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.298 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -91.49 -11.41 37.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 5.2 tm-20 -76.18 -33.4 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.286 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.62 16.64 3.34 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.369 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 m -110.77 147.35 34.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 0.237 . . . . 0.0 110.447 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -126.3 153.59 44.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 110.676 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.2 139.05 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.889 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.2 tt -137.78 133.79 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.485 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.6 tt 67.38 94.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.46 129.65 56.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -54.48 -37.1 64.86 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.558 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 t -152.34 161.82 42.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 48.1 t -168.36 151.86 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -177.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -118.42 141.41 48.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.39 -8.57 54.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.961 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -31.91 49.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -141.89 89.39 8.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.915 171.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.557 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 58.2 Cg_endo -70.44 158.67 55.38 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.105 2.537 . . . . 0.0 112.928 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.588 ' HD3' ' OG ' ' A' ' 21' ' ' SER . 41.4 Cg_exo -58.22 -24.8 68.98 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.698 2.932 . . . . 0.0 113.58 -176.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' OE1' ' HB2' ' A' ' 26' ' ' PRO . 1.4 pm0 -61.44 -14.61 29.81 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.318 -0.239 . . . . 0.0 111.55 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 27.8 t-20 -68.89 -22.87 64.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.491 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 tt -67.21 -26.2 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.414 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 9' ' ' SER . 14.9 pt -107.63 -16.89 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.415 0.626 . . . . 0.0 110.451 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.4 t70 -65.7 -50.74 63.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.346 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.32 5.73 32.08 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.588 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -83.8 117.25 68.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.551 0.675 . . . . 0.0 110.028 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -83.47 19.43 1.34 Allowed 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.544 2.829 . . . . 0.0 113.716 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.71 -60.22 2.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.529 0.68 . . . . 0.0 110.86 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 m -151.49 164.05 37.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.336 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.856 ' HB3' ' HB2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -94.02 171.93 8.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.49 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -85.29 125.59 33.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -132.07 143.88 50.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.158 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 158.81 19.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.253 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.8 p -82.66 21.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.47 48.7 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.606 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.518 ' HA ' ' CE ' ' A' ' 44' ' ' MET . 7.8 mmt -80.8 88.94 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -107.16 146.75 33.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.784 174.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 166.93 81.47 Favored 'Cis proline' 0 N--CA 1.462 -0.367 0 C-N-CA 123.09 -1.629 . . . . 0.0 112.095 -0.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.805 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 51.2 mt-30 -107.22 148.96 28.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 10.2 pt-20 -158.35 122.24 4.02 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.747 168.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 39.9 p90 -128.69 141.21 51.41 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.435 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.0 mt -109.69 122.76 64.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -174.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -107.74 120.04 58.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.3 p -106.74 127.33 53.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.48 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 96.0 m-85 -70.57 -13.52 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.745 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 66.22 13.77 9.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.347 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 22.7 pttm -169.14 167.09 10.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -87.36 107.07 18.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 0.0 110.331 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.74 168.68 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 111.11 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.4 ttm180 -117.56 128.41 54.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.481 173.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.06 133.14 46.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.291 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.584 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 35.5 tt0 -105.5 -40.73 5.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.966 0.412 . . . . 0.0 110.002 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 65.6 mtt-85 -141.47 146.91 37.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.203 0.525 . . . . 0.0 111.623 -175.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 60.4 mt -115.25 105.66 13.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.141 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 54.6 t -91.19 95.71 5.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.838 HG23 HG12 ' A' ' 131' ' ' VAL . 28.7 mt -107.67 116.05 50.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -172.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 101' ' ' GLN . 47.2 mt-30 -109.69 110.36 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.848 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -136.16 167.82 20.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.299 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -136.13 144.38 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.718 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 75.17 -23.38 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.836 0.854 . . . . 0.0 112.984 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 118' ' ' ILE . 55.0 t -54.99 136.03 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -114.97 -50.77 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 6.4 m -120.16 113.87 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.776 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD11 ' HD2' ' A' ' 116' ' ' PHE . 30.9 tp -122.46 107.74 12.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 58.0 tttm -101.49 109.06 20.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.729 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -95.59 111.79 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.25 151.85 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 178.214 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 88' ' ' TRP . 16.1 ptpt -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.7 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 9.5 t -143.17 143.95 31.99 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 170.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.6 p -113.29 7.82 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.985 0.421 . . . . 0.0 111.427 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -91.85 178.96 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.632 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -103.65 9.55 37.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.903 0.859 . . . . 0.0 109.207 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 26.0 mt-10 -119.24 139.86 28.15 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.567 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 7.6 Cg_exo -74.62 45.97 1.37 Allowed 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.142 2.561 . . . . 0.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.85 143.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.833 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 63.78 97.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.907 174.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 70.4 m-85 -113.0 145.31 41.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.798 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -102.41 144.52 30.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.638 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 22.9 pt20 -67.84 131.69 46.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 10.3 t90 -118.92 -72.75 0.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.97 100.56 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.886 0.374 . . . . 0.0 111.336 -175.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.73 101.06 12.72 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -115.04 140.56 48.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.7 134.77 46.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.544 173.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.01 172.44 7.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.43 143.6 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.17 104.11 2.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.449 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.2 p -112.45 121.97 46.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.413 175.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.3 141.11 36.49 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.95 -40.42 2.66 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.051 -173.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.6 mt-30 -92.84 110.84 22.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.48 120.59 15.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.8 tm0? -69.55 97.68 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -119.99 102.81 8.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.332 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 47.2 mm-40 -92.32 120.95 33.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -99.58 89.51 4.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 57.3 mt -94.95 110.08 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.938 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.39 88.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.069 0.938 . . . . 0.0 109.598 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB2' HG22 ' A' ' 105' ' ' ILE . . . -123.56 114.11 19.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.72 -172.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -99.08 122.33 42.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.522 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 168.82 40.63 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.46 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m -131.31 114.08 14.58 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.09 161.49 38.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.891 0.377 . . . . 0.0 111.054 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.7 p -108.15 -33.22 7.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.259 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.455 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 40.4 m-85 -125.24 131.5 53.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.381 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 mt -114.91 127.19 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.726 0.298 . . . . 0.0 110.214 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -107.43 103.66 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 76.5 m-85 -90.03 103.52 16.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 46.3 mt -98.23 98.26 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.805 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 48.1 mt -85.27 90.63 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 46.6 t -60.37 -64.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -175.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.6 m -137.31 159.06 43.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.354 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.5 174.09 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.309 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -83.08 -5.8 59.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.53 175.23 9.78 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -88.59 -7.81 55.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.097 0.475 . . . . 0.0 110.07 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -127.97 122.36 32.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.788 175.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.86 150.44 28.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.5 p -142.64 133.81 26.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.881 0.372 . . . . 0.0 111.759 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.64 147.01 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 58.7 t-80 -130.18 -50.48 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.079 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 m -115.32 105.32 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.111 0.481 . . . . 0.0 111.264 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.838 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -116.81 90.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 40.0 m -90.69 129.01 36.83 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.662 -170.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.35 104.79 14.58 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.931 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 18.1 mt-10 -94.43 124.25 38.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.764 0.792 . . . . 0.0 110.345 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 176.12 -148.8 9.44 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.627 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.66 155.37 40.95 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.556 0.678 . . . . 0.0 111.535 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.5 m -71.81 138.27 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.251 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.82 -48.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.354 -178.484 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -147.91 113.32 5.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 111.098 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.521 HG23 ' HG ' ' A' ' 6' ' ' LEU . 14.3 tt -124.54 154.54 32.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.89 174.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.12 86.23 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.503 0.668 . . . . 0.0 111.139 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 48.0 mt -79.98 10.92 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.432 -175.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 131' ' ' VAL . 46.0 t -94.58 -9.7 34.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.534 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.46 139.93 39.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 111.694 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' HD12 ' A' ' 31' ' ' ILE . 9.4 p -65.88 -18.78 65.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.159 174.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -71.78 -21.85 61.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.697 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.67 -19.48 27.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.878 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.38 7.65 13.85 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.345 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 m -76.29 123.41 25.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.05 0.453 . . . . 0.0 110.648 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -125.32 120.33 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.247 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -85.09 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.187 0.518 . . . . 0.0 111.191 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.548 ' CG1' ' HB ' ' A' ' 50' ' ' ILE . 3.9 pt -124.31 166.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.28 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' HB2' HG13 ' A' ' 16' ' ' ILE . 2.9 tp 69.02 14.6 8.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.95 0.5 . . . . 0.0 112.157 168.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.37 115.72 3.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.023 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -52.35 -51.13 60.52 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.48 0.487 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -111.87 139.1 47.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.716 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -137.01 105.69 5.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -97.83 142.14 29.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.324 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -70.3 -29.63 66.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.51 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.38 -8.25 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.608 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -143.54 76.96 15.64 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.493 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 60.5 Cg_endo -73.42 128.97 13.28 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.522 2.148 . . . . 0.0 112.858 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 25.8 Cg_exo -61.88 -23.43 75.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.983 2.456 . . . . 0.0 112.059 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.61 -10.59 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -86.03 -12.46 50.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.096 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.76 -39.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.165 0.507 . . . . 0.0 109.833 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 9' ' ' SER . 11.9 pt -83.27 8.07 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.42 -37.27 8.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.571 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 49.2 8.98 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.556 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 63.4 t30 -97.44 120.21 61.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.494 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 23.5 Cg_exo -65.1 -5.27 10.6 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.176 2.584 . . . . 0.0 113.099 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -95.91 -44.13 7.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 0.0 111.443 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -102.5 149.66 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.499 -172.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 129' ' ' HIS . 46.7 p90 -145.54 165.58 28.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.285 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 128' ' ' VAL . 57.7 t90 -105.62 144.14 32.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.002 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 164.12 30.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -116.82 160.21 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -87.07 26.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.139 0.495 . . . . 0.0 111.229 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.99 29.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.162 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.467 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 64.4 mtt -91.81 95.28 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.711 0.291 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 83.1 m-85 -107.04 129.86 23.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.397 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.891 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 3.2 Cg_exo -81.45 164.01 77.29 Favored 'Cis proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.599 -1.417 . . . . 0.0 111.695 -2.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.4 pt20 -127.42 138.85 53.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.152 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.09 144.98 48.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.979 0.418 . . . . 0.0 110.789 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -145.09 144.93 31.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.19 172.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HB ' ' CG1' ' A' ' 16' ' ' ILE . 72.5 mt -109.22 114.97 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.834 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -92.35 107.44 18.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.7 m -86.93 116.49 25.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.603 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 95.4 m-85 -77.91 -25.65 48.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 65.24 11.22 7.06 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.087 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HG3' HG13 ' A' ' 57' ' ' VAL . 52.6 pttt -156.28 163.85 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.42 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -89.35 109.07 20.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 137' ' ' VAL . 24.3 m -123.31 156.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 112.043 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 7.6 ttp85 -107.98 111.8 24.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.713 175.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 80.7 mt -92.78 133.04 35.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.37 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.7 -1.59 8.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.977 0.418 . . . . 0.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -166.44 137.91 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 89' ' ' ILE . 96.9 mt -119.96 125.94 49.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.55 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 90.4 t -101.54 111.87 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 105' ' ' ILE . 17.9 mm -106.72 104.02 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.092 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -103.99 102.35 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 128' ' ' VAL . 12.6 p -151.29 -179.87 7.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -174.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.861 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 19.7 m-85 -121.01 142.59 49.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.356 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 65.0 -96.78 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.754 0.659 . . . . 0.0 111.91 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.848 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.4 t 58.2 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.179 0.592 . . . . 0.0 110.659 -176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.848 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -172.7 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.1 m -105.56 99.79 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.036 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.547 HD11 ' HD2' ' A' ' 116' ' ' PHE . 28.4 tp -103.67 101.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.492 0.663 . . . . 0.0 110.366 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 117' ' ' ILE . 52.9 tttp -90.64 106.94 18.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.572 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.581 HD12 HG13 ' A' ' 89' ' ' ILE . 36.7 mt -96.18 108.7 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.765 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 23.7 tt0 -111.62 136.63 50.57 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.53 155.48 22.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.229 0.538 . . . . 0.0 111.594 -172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 11.5 t -142.87 132.64 23.98 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 165.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -113.17 12.73 19.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 0.0 110.4 -177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -89.58 -164.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.697 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 2.7 ptmm? -107.15 -6.4 17.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.123 0.487 . . . . 0.0 110.938 178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 25.3 mp0 -97.81 146.29 31.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.62 32.65 0.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.645 2.23 . . . . 0.0 112.165 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.73 166.9 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.823 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.1 t70 63.17 105.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.053 0.845 . . . . 0.0 110.84 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.765 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 98.1 m-85 -126.31 156.46 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 112.328 -169.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -115.54 136.37 53.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.929 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -75.08 116.68 16.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.952 0.406 . . . . 0.0 110.491 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -90.93 -78.6 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.352 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.581 HG13 HD12 ' A' ' 74' ' ' ILE . 7.0 pt -141.24 109.96 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 111.368 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.24 105.34 17.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -112.88 144.66 42.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.98 0.419 . . . . 0.0 111.29 -170.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.2 p-10 -98.95 149.02 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.799 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 69' ' ' VAL . 82.8 mt -121.77 173.48 7.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.371 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.62 146.95 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -62.84 105.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -91.28 119.33 31.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.09 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -103.79 118.0 35.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.073 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.24 38.97 91.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.595 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.69 132.82 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.703 0.287 . . . . 0.0 111.236 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.861 ' HG ' ' HE1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -97.64 97.22 8.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.606 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -106.38 136.06 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.132 0.491 . . . . 0.0 111.091 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 102' ' ' ASN . 0.7 OUTLIER -97.03 115.61 27.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.04 175.16 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.07 130.02 37.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -107.76 99.78 9.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.195 -175.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 64' ' ' ILE . 3.1 mp -99.17 119.56 47.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.432 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.49 97.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.729 0.776 . . . . 0.0 109.634 173.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.9 112.33 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.471 -173.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 70.1 m80 -102.23 112.08 24.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 157.69 30.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.875 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 p -104.38 136.68 43.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.93 161.52 41.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.048 0.452 . . . . 0.0 111.526 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 p -122.09 -33.93 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.492 174.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 88.7 m-85 -125.29 126.62 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.549 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 30.4 mt -114.79 121.25 42.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.598 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 17.5 ttp180 -106.38 100.54 10.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.12 0.486 . . . . 0.0 110.004 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.547 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.7 m-85 -82.61 116.34 21.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.904 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CZ ' ' A' ' 115' ' ' ARG . 55.6 mt -114.4 107.32 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.8 mt -88.29 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.891 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -62.52 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.019 -173.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 69.2 m -155.6 165.89 35.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.848 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -132.07 168.89 17.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.89 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -70.2 -8.65 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.469 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -135.48 -172.18 3.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -95.83 -6.4 39.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.473 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.43 133.74 48.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.407 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -136.13 118.35 15.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 67' ' ' TYR . 15.0 m -142.08 122.69 14.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 39' ' ' TRP . 8.2 p -100.53 130.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 6.5 t60 -79.54 -59.19 2.85 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 m -160.27 159.61 31.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.952 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -128.0 170.95 16.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.671 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.8 m -149.72 128.8 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -106.05 107.67 18.78 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.41 123.7 40.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.253 0.549 . . . . 0.0 110.672 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 175.44 -144.41 7.21 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -137.97 154.83 49.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 0.0 111.32 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.511 ' HA ' HG12 ' A' ' 57' ' ' VAL . 59.4 t -83.43 112.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.942 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.68 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.036 0.445 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.575 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.607 ' HE ' ' HG2' ' A' ' 60' ' ' GLU . 31.5 ptt-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.44 0.638 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -130.04 93.55 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.056 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 6.5 tt -134.52 128.05 50.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -63.48 106.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.514 0.673 . . . . 0.0 110.268 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.719 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 25.9 mt -84.88 -2.44 57.81 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.379 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.03 -14.37 25.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 0.0 111.376 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 65.5 mt -64.08 131.43 47.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.177 0.513 . . . . 0.0 112.095 -176.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 31' ' ' ILE . 18.6 p -64.81 -20.05 66.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.438 170.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 m -72.5 -23.61 61.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 50.1 mm-40 -95.35 9.74 38.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.26 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.79 9.73 59.54 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.647 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . 19.2 m -86.44 149.5 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.382 0.591 . . . . 0.0 110.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -132.99 151.04 52.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.32 110.72 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.847 0.832 . . . . 0.0 111.192 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.653 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.2 tt -113.02 154.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.417 -175.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER 74.5 20.22 2.53 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.901 0.48 . . . . 0.0 112.149 171.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.74 117.71 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.274 -0.266 . . . . 0.0 110.938 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -65.03 -61.23 2.28 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -103.94 102.42 12.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.033 0.444 . . . . 0.0 110.987 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -91.58 119.95 31.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 11.3 t70 -96.77 147.38 23.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.72 -20.51 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.063 0.459 . . . . 0.0 111.454 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -89.97 -30.14 18.0 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 97.6 m-70 -129.5 81.69 69.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.989 170.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 29.1 Cg_endo -62.48 155.24 59.2 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.066 2.511 . . . . 0.0 113.168 -173.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' O ' HG22 ' A' ' 30' ' ' ILE . 35.6 Cg_exo -58.33 -20.99 50.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.018 2.479 . . . . 0.0 112.233 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.47 -14.9 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.19 -12.5 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.464 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.3 tt -78.26 -27.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.551 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 9' ' ' SER . 4.9 pt -94.09 13.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 122.006 0.908 . . . . 0.0 109.596 174.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -109.6 -64.91 1.2 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.647 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.16 21.64 77.72 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 114.277 171.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -84.85 147.56 48.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 117.733 0.767 . . . . 0.0 110.189 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.77 16.19 0.28 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.321 2.68 . . . . 0.0 114.135 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -96.9 -41.07 8.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 t -151.52 141.0 21.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 42.2 p90 -145.84 170.0 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.059 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -87.54 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.029 0.442 . . . . 0.0 110.997 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -122.59 139.67 53.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 43' ' ' GLY . 7.3 m -76.55 139.28 40.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.115 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -77.76 -9.8 59.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 111.626 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 41' ' ' THR . . . 115.16 -3.24 22.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.405 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -78.84 97.57 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.082 0.468 . . . . 0.0 110.728 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.06 147.93 36.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.587 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.81 155.53 97.67 Favored 'Cis proline' 0 C--O 1.235 0.371 0 C-N-CA 122.995 -1.669 . . . . 0.0 112.09 -1.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 19.9 pt20 -106.97 144.06 34.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.138 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 115' ' ' ARG . 10.2 pt-20 -143.9 131.11 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.268 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 116' ' ' PHE . 37.7 p90 -145.17 143.65 30.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.653 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.6 mt -109.84 112.45 40.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.802 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.65 112.97 27.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.74 131.33 44.37 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.078 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.61 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 99.6 m-85 -72.42 -24.28 61.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.021 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 67.82 15.78 9.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.361 0.601 . . . . 0.0 110.275 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 18.8 pttm -162.57 155.86 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.599 -176.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -82.72 105.8 14.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 137' ' ' VAL . 33.8 m -119.12 169.35 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.048 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.2 ttt180 -129.09 117.02 20.15 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.735 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.0 mt -90.02 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.506 -175.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' HE ' ' A' ' 2' ' ' ARG . 14.5 tp10 -115.76 -26.89 7.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.332 0.587 . . . . 0.0 110.261 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -165.8 139.1 4.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.742 -174.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.2 mp -110.19 140.14 44.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.713 0.292 . . . . 0.0 110.419 177.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.93 95.48 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.5 mm -100.81 111.19 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.794 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -117.44 107.95 14.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.138 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.1 m -147.81 167.31 25.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.99 143.05 45.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.807 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 74.4 m-85 70.65 2.64 4.2 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 170.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.4 125.94 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.792 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.761 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 34.2 tt0 -111.39 -76.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.0 m -85.2 101.36 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.165 0.507 . . . . 0.0 110.344 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.738 HD11 ' HD1' ' A' ' 116' ' ' PHE . 17.8 tp -112.33 110.13 20.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.39 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 40.6 tttp -97.31 108.36 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.104 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.09 106.78 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.051 0.453 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 28.3 tt0 -95.89 135.7 37.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.156 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 10.4 ttmt -111.51 135.74 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.011 0.434 . . . . 0.0 112.019 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 51.0 m -136.88 127.57 27.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.191 170.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.34 16.45 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.386 0.612 . . . . 0.0 110.519 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -86.09 157.2 20.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.95 -4.2 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.373 0.606 . . . . 0.0 109.854 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 83' ' ' VAL . 31.4 mt-10 -117.44 154.56 50.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.485 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -75.07 43.05 0.92 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.758 2.306 . . . . 0.0 112.657 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 81' ' ' GLU . 30.9 m -129.02 169.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.24 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 63.45 106.76 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.061 0.851 . . . . 0.0 111.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 55.8 m-85 -115.8 127.32 54.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -127.67 128.62 45.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.35 110.07 5.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.59 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 14.5 t90 -84.43 -67.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.333 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.2 mt -134.84 143.1 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -139.02 115.24 10.34 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -120.58 161.57 21.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.518 . . . . 0.0 112.056 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.761 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 3.7 p30 -133.02 133.6 43.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.472 171.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.94 166.06 11.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.43 154.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.646 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -58.22 113.94 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 17.4 p -129.1 114.57 16.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.804 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -100.95 113.45 26.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.725 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 -18.52 34.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.8 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.47 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 77.4 mt-30 -92.47 112.12 23.95 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.47 101.85 4.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -88.36 89.45 7.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.52 109.08 3.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.91 104.21 16.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.723 0.773 . . . . 0.0 110.069 -171.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.1 pt-20 -90.06 102.55 15.26 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.299 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 38.8 mm -79.71 98.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.374 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 m -75.05 90.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.785 0.802 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.183 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.735 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.2 p80 -103.6 111.05 23.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.411 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.43 34.13 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.531 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -108.8 131.66 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.669 0.235 . . . . 0.0 110.379 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -157.15 154.19 28.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.702 0.287 . . . . 0.0 110.712 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 p -115.39 -34.98 4.76 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.223 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.705 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 39.1 m-85 -122.32 131.3 53.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.94 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 76' ' ' LYS . 69.1 mt -127.43 126.3 42.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.543 0.211 . . . . 0.0 110.442 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 50' ' ' ILE . 4.6 ttm-85 -106.3 110.65 22.95 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.738 ' HD1' HD11 ' A' ' 72' ' ' LEU . 67.9 m-85 -85.1 109.95 18.62 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.656 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 36.0 mt -106.03 102.43 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.965 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.495 ' HB ' ' CG ' ' A' ' 47' ' ' GLN . 52.1 mt -88.76 99.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.1 -46.71 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.984 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -127.09 127.35 44.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.746 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.36 159.83 30.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 66.8 m-85 -70.88 -30.37 66.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.534 . . . . 0.0 110.483 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.87 -172.27 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.516 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.7 m-70 -101.18 -4.58 26.96 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -122.91 122.31 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.816 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.7 137.89 41.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.928 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.419 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . 18.7 m -127.92 111.81 14.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -94.82 109.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.249 0.547 . . . . 0.0 110.073 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -73.05 -54.19 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -164.34 125.96 2.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.945 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.31 118.27 54.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.963 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 44.4 m -121.31 145.25 48.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.51 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -110.67 120.23 41.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.11 143.21 26.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.257 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 149.08 -154.46 25.81 Favored Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -143.28 163.68 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 117.206 0.503 . . . . 0.0 111.311 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 57' ' ' VAL . 31.5 t -89.38 114.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.072 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.81 -44.7 98.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.13 179.121 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 68.17 61.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.663 0.602 . . . . 0.0 111.769 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 9.6 tt -95.39 133.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.27 91.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.084 0.468 . . . . 0.0 110.702 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD22 HG11 ' A' ' 57' ' ' VAL . 20.5 mt -82.91 8.1 13.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.072 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.755 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 24.7 p -94.24 -30.96 14.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.631 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.14 139.32 58.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -166.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -62.35 -21.66 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.278 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -70.7 -20.1 62.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.17 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -92.18 2.11 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.05 13.72 61.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.954 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.7 p -72.31 162.23 29.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.907 0.384 . . . . 0.0 110.324 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.558 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 10.1 tp10 -142.91 140.62 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.157 178.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.84 102.07 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.008 0.908 . . . . 0.0 109.935 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.567 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.3 tt -105.08 131.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.288 -176.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 6.3 tt 71.0 118.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.68 0.613 . . . . 0.0 111.029 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 48' ' ' GLU . . . -151.57 135.44 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.915 176.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -63.36 -28.95 70.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.542 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -120.99 139.61 53.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.817 0.341 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -156.83 151.48 25.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -145.44 157.22 44.05 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -86.81 -24.96 24.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.997 0.427 . . . . 0.0 111.104 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -92.5 -30.54 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.87 85.32 60.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.243 174.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.96 149.55 22.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.127 2.551 . . . . 0.0 112.991 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.696 ' HB3' ' CD1' ' A' ' 39' ' ' TRP . 56.9 Cg_endo -74.36 -5.49 17.0 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.88 2.387 . . . . 0.0 112.798 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.23 -12.75 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.227 0.537 . . . . 0.0 111.224 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -94.05 -3.22 51.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.316 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.4 tt -66.15 -35.35 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 111.309 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 10.7 pt -80.69 -26.91 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.644 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.9 -18.05 41.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.34 53.34 5.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.163 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -83.86 130.72 54.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.58 -42.52 4.92 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.709 2.273 . . . . 0.0 112.422 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.3 -60.55 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m -94.95 115.37 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.109 0.48 . . . . 0.0 110.877 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -133.86 174.74 10.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.241 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.696 ' CD1' ' HB3' ' A' ' 27' ' ' PRO . 33.9 t90 -93.28 121.76 34.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 110.862 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -124.0 170.33 10.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.04 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.806 ' HB ' ' HB2' ' A' ' 125' ' ' PHE . 3.3 m -104.87 147.44 27.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.837 0.351 . . . . 0.0 111.381 -173.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -83.83 -21.62 32.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.597 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.753 ' H ' HG22 ' A' ' 41' ' ' THR . . . 114.09 47.17 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.727 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.32 116.2 13.17 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.65 145.67 31.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -80.81 146.9 73.2 Favored 'Cis proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.298 -0.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 11.3 pt20 -107.09 114.06 27.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.259 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 9.4 pt-20 -124.38 158.78 31.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.004 -177.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 45.8 p90 -155.09 144.77 21.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.577 173.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.806 HG12 ' HG3' ' A' ' 115' ' ' ARG . 57.0 mt -108.9 124.33 65.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.884 0.373 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.02 120.32 54.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 14' ' ' GLU . 16.1 p -110.46 132.91 53.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.927 0.394 . . . . 0.0 110.72 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 55' ' ' LYS . 74.3 m-85 -82.02 -23.63 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.712 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 70.2 m-70 71.0 -17.73 0.29 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.586 0.754 . . . . 0.0 111.467 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 53' ' ' PHE . 42.7 pttt -125.95 161.31 27.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.33 107.77 16.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 6' ' ' LEU . 16.3 m -121.49 160.92 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.981 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 110' ' ' SER . 57.4 ttp85 -125.52 122.14 35.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -89.64 141.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -93.78 -50.28 5.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HG3' HH11 ' A' ' 61' ' ' ARG . 26.4 ptt85 -161.09 154.4 21.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.913 173.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.7 134.93 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.509 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.545 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 85.6 t -96.06 112.73 28.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.73 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HB2' ' H ' ' A' ' 130' ' ' SER . 77.8 mt-30 -101.64 102.17 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -152.92 147.03 25.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.4 t80 -128.89 159.32 36.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 73.9 m-85 72.92 -10.79 0.94 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.56 0.744 . . . . 0.0 111.714 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 45.8 t -70.81 137.54 23.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 24.6 tt0 -113.25 -74.02 0.64 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -95.87 103.64 15.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.756 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' A' ' 116' ' ' PHE . 22.3 tp -111.76 114.49 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.269 0.557 . . . . 0.0 110.905 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 20.7 ttmm -103.63 120.45 40.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 89' ' ' ILE . 62.5 mt -99.55 107.65 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -99.66 129.11 45.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.82 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 28.7 ttpp -107.58 139.58 41.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.965 0.412 . . . . 0.0 111.268 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 34.4 t -139.18 140.73 37.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.766 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 p -112.54 17.47 19.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.235 0.541 . . . . 0.0 110.235 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -85.31 156.64 20.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.558 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -82.27 -19.57 39.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.82 0.819 . . . . 0.0 108.87 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' A' ' 83' ' ' VAL . 5.7 mm-40 -105.92 157.27 35.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.971 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.59 51.21 1.46 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.967 2.445 . . . . 0.0 112.685 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 81' ' ' GLU . 29.4 m -138.36 173.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.773 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.4 t70 58.0 88.79 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 0.0 110.925 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.63 144.95 41.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.283 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.0 128.63 32.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.645 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -71.79 106.77 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.344 0.593 . . . . 0.0 110.485 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -92.26 -52.32 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.717 -174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 74' ' ' ILE . 61.9 mt -135.57 146.41 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -138.96 121.45 16.15 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -136.07 135.42 39.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.739 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.556 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.6 p-10 -104.54 129.67 52.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.68 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 20.2 tp -73.93 142.14 45.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.643 ' HB ' HE22 ' A' ' 101' ' ' GLN . 60.2 t -96.53 124.45 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -74.91 91.67 2.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.104 0.478 . . . . 0.0 110.786 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.9 p -81.31 114.58 20.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 168.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.26 121.51 20.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.335 -172.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.22 -0.29 87.24 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.441 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -129.2 129.41 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.16 116.62 20.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 171.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.643 HE22 ' HB ' ' A' ' 94' ' ' VAL . 34.8 tt0 -83.14 97.11 8.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.287 0.565 . . . . 0.0 111.221 -175.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.98 115.93 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.991 172.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.17 121.52 43.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.762 0.315 . . . . 0.0 111.018 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 104' ' ' GLU . 7.4 pt-20 -96.62 103.6 15.52 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.882 0.849 . . . . 0.0 109.332 171.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.37 100.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.131 -176.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -75.7 106.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.596 0.713 . . . . 0.0 109.945 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.485 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -147.62 117.93 7.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.467 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.29 107.39 19.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.95 164.11 37.6 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.987 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 20.2 m -108.14 143.62 36.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.478 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.71 160.17 36.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.9 p -119.57 -34.68 3.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.678 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 42.2 m-85 -124.6 127.59 47.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.031 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 76' ' ' LYS . 66.9 mt -121.42 124.5 44.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.806 ' HG3' HG12 ' A' ' 50' ' ' ILE . 3.5 ttm-85 -106.51 119.63 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 71.8 m-85 -94.29 102.01 13.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.745 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.498 HG13 ' HD2' ' A' ' 115' ' ' ARG . 4.4 mp -97.38 103.39 14.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.844 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.767 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 50.1 mt -85.84 96.13 4.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.8 -40.72 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.896 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 t -146.74 157.58 43.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 -177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.91 171.66 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -80.9 -16.34 53.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -134.92 -172.09 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.788 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.412 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 86.1 m-70 -74.39 -14.83 60.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.806 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 49.4 p90 -150.6 158.84 44.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.85 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' A' ' 69' ' ' VAL . . . -114.5 157.96 22.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -135.06 120.06 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.045 0.45 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 30' ' ' ILE . 8.1 p -104.34 136.62 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.74 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -98.27 -60.35 1.57 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 65' ' ' GLN . 15.0 m -148.73 133.63 18.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.278 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.73 142.75 41.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.755 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 26.6 p -143.44 136.4 27.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 110.884 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.63 102.71 12.15 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -98.03 104.02 16.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.479 0.657 . . . . 0.0 110.635 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -130.63 1.6 Allowed Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.326 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 p -144.55 154.98 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 132.04 39.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.961 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.24 -57.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.14 177.218 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 136' ' ' THR . 12.1 ptm180 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.106 0.479 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -129.07 91.93 3.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.198 0.523 . . . . 0.0 109.863 171.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 10.5 tt -120.25 121.09 64.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 168.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.44 94.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.138 0.97 . . . . 0.0 110.504 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 14.6 mt -79.12 11.22 2.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.831 -168.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.695 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 39.7 t -94.58 -12.11 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.185 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 61.1 mt -74.07 140.48 45.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 0.0 111.66 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.587 ' HB2' HG13 ' A' ' 31' ' ' ILE . 18.8 t -68.42 -19.42 64.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.523 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -90.52 -9.23 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.545 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 7.1 tm-20 -89.57 -24.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.187 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.18 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.973 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.0 m -98.68 150.71 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.665 0.269 . . . . 0.0 110.441 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.53 150.48 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.331 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 p -97.46 136.24 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.191 0.52 . . . . 0.0 110.093 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 50' ' ' ILE . 5.3 tt -135.82 134.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.337 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.4 tt 69.45 99.7 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.681 0.613 . . . . 0.0 111.005 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.45 119.16 25.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.3 m -56.96 -56.87 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.046 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -98.03 144.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.527 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -158.12 131.26 7.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.995 0.426 . . . . 0.0 110.791 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.832 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 12.2 t70 -101.58 155.16 18.26 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 172.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -78.78 -23.28 45.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.783 0.325 . . . . 0.0 110.894 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -107.08 -2.4 21.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 0.0 110.078 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.832 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 32.0 m170 -128.0 76.89 77.25 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.033 172.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.526 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 55.5 Cg_endo -88.35 137.58 3.68 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.716 2.278 . . . . 0.0 112.572 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.526 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.08 -17.58 45.74 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 C-N-CA 123.393 2.728 . . . . 0.0 113.711 -172.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -66.15 -14.48 61.91 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.176 -0.328 . . . . 0.0 111.716 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.12 -2.65 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 HG23 ' A' ' 31' ' ' ILE . 8.1 tt -62.49 -35.64 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 111.544 -174.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 25.2 pt -87.93 -18.46 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.298 -172.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -89.77 -15.41 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 0.0 110.545 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 52.86 7.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.144 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -103.33 112.75 65.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.46 -16.84 52.43 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.34 2.693 . . . . 0.0 112.979 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.92 -48.85 80.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.456 . . . . 0.0 110.509 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -116.39 115.48 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.0 142.77 34.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -96.19 113.65 25.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -126.09 138.8 53.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.78 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 43' ' ' GLY . 55.9 m -85.25 132.53 34.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.254 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -77.85 8.67 4.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.275 -175.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 41' ' ' THR . . . 102.3 25.47 7.82 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.258 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.61 101.79 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 83.0 m-85 -106.85 138.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.265 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 84.2 Cg_endo -85.7 163.74 57.59 Favored 'Cis proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.364 -1.515 . . . . 0.0 112.608 0.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG2' HG21 ' A' ' 41' ' ' THR . 27.8 mt-30 -107.12 111.73 24.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.359 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.52 125.35 46.6 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.265 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.616 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 30.4 p90 -139.28 140.17 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.883 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HB ' HG23 ' A' ' 16' ' ' ILE . 69.8 mt -111.52 135.77 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.44 117.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.85 127.65 51.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 96.4 m-85 -81.15 -20.73 40.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.309 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 23.5 m-70 68.68 6.64 5.61 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 139' ' ' SER . 40.1 pttt -154.27 179.7 8.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.14 -171.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 42.6 m-70 -101.49 110.94 23.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -123.8 148.82 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 111.676 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.897 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.407 HD13 HD11 ' A' ' 114' ' ' LEU . 69.5 mt -89.6 123.42 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.12 -14.77 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.16 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -170.08 156.06 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -133.28 136.8 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.665 0.269 . . . . 0.0 110.696 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 46.5 t -103.45 109.0 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.864 175.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 19.3 mm -113.11 103.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -117.32 102.19 9.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 m -140.75 167.24 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -95.3 123.73 38.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.85 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.063 0.852 . . . . 0.0 112.232 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.905 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.9 t 56.33 -160.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.905 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -174.22 -77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -108.35 103.42 12.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.854 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.1 tp -103.41 102.21 12.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.231 0.538 . . . . 0.0 110.246 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.612 ' HZ1' ' HG2' ' A' ' 87' ' ' GLN . 51.9 tttp -96.92 109.9 22.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.669 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -104.65 117.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.925 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -95.56 142.02 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 176.017 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 78.6 tttt -106.71 134.45 49.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.048 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.504 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 31.3 t -142.1 143.34 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.854 0.359 . . . . 0.0 110.191 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m -128.72 23.44 5.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.592 0.711 . . . . 0.0 109.46 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -77.33 178.07 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.885 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -79.65 -31.1 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 109.724 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.657 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 31.3 mt-10 -119.27 168.94 8.94 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.266 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.657 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 56.6 Cg_endo -70.86 46.46 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.003 2.469 . . . . 0.0 112.598 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.74 160.64 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.156 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 61.55 93.1 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.546 0.689 . . . . 0.0 111.126 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 77.5 m-85 -116.35 167.96 10.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.04 139.34 34.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.612 ' HG2' ' HZ1' ' A' ' 73' ' ' LYS . 18.9 mt-30 -63.28 108.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.352 0.407 . . . . 0.0 110.25 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 18.3 t90 -97.11 -65.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.04 -173.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.7 mt -138.11 108.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 52.4 mt-10 -106.66 97.09 6.93 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -103.34 161.29 13.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.614 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.13 114.51 27.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.548 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 82.9 mt -103.43 121.99 43.95 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.27 154.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.211 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.505 ' HB2' ' CB ' ' A' ' 122' ' ' PHE . 13.5 t60 -62.69 102.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.273 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 p -113.2 111.74 22.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.515 0.674 . . . . 0.0 111.158 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -104.41 132.68 50.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.79 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.29 9.94 73.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.175 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -140.14 129.12 23.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 110.405 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.68 116.24 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.04 86.08 7.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.218 0.533 . . . . 0.0 109.743 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 96.44 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.862 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 8.6 tp10 -92.14 120.46 32.75 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.29 99.44 9.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.281 0.562 . . . . 0.0 109.791 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 58.8 mt -86.37 106.75 15.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.795 -176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.17 102.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -144.48 153.05 41.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.35 126.02 53.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.151 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.68 131.8 2.46 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.819 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.9 m -90.65 108.44 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.47 52.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 111.713 -173.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.6 p -108.09 -27.69 9.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.557 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.3 m-85 -133.76 128.11 34.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.078 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.407 HD11 HD13 ' A' ' 59' ' ' ILE . 50.3 mt -114.76 129.82 56.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.557 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 64.3 ttt180 -110.85 110.12 20.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.639 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HD2' HD11 ' A' ' 72' ' ' LEU . 45.3 m-85 -96.6 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.319 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 48.4 mt -114.23 102.12 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.803 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.6 mt -81.74 94.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 48.1 t -58.59 -44.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -175.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 t -159.06 179.35 9.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.251 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . . . -142.16 158.09 44.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CB ' ' HB2' ' A' ' 95' ' ' HIS . 63.0 m-85 -74.66 -8.75 57.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.106 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.6 162.84 31.58 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -64.52 -29.14 70.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.702 0.287 . . . . 0.0 111.304 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -112.35 136.84 51.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.218 0.532 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.95 119.39 20.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -120.15 121.46 38.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.67 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 30' ' ' ILE . 3.4 p -84.83 116.62 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 171.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -97.55 -28.05 14.13 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.191 -172.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -169.09 120.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.1 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 16.6 m -128.61 144.06 39.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 33.1 m -150.51 144.1 25.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.574 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.81 123.49 48.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -104.6 147.48 27.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.055 0.455 . . . . 0.0 110.473 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.69 -141.97 9.17 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.625 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -149.79 144.35 25.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.856 0.36 . . . . 0.0 111.88 -178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.43 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.132 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 39.9 t -94.78 -37.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.553 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 14.6 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.772 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 60' ' ' GLU . 37.5 ttt180 . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 6.9 pttp -128.28 81.14 2.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.155 0.978 . . . . 0.0 111.031 175.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 135' ' ' GLY . 6.5 tt -95.28 145.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.359 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.37 96.08 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.453 0.644 . . . . 0.0 110.535 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 16.9 mt -84.52 11.07 9.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.174 -173.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 23.6 p -91.83 -10.01 41.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 98.6 mt -68.3 137.23 54.52 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.379 0.609 . . . . 0.0 111.682 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.644 ' HB3' HD12 ' A' ' 31' ' ' ILE . 11.6 p -63.98 -21.95 66.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.403 171.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -74.87 -12.07 60.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.163 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -95.44 1.53 54.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.94 45.24 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.657 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 19.9 m -98.11 117.38 32.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.824 0.345 . . . . 0.0 110.143 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -103.38 144.44 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.787 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 51' ' ' ILE . 14.7 m -89.95 133.27 32.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.814 172.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 17' ' ' LEU . 14.2 tt -131.3 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' N ' HG12 ' A' ' 16' ' ' ILE . 7.0 tp 72.24 -87.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.226 0.61 . . . . 0.0 110.219 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.75 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.819 0.699 . . . . 0.0 111.846 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -57.86 -26.9 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.5 t -151.94 95.38 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 110.31 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.6 t -94.37 109.23 21.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 15.5 t70 -95.99 149.27 21.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.104 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -59.1 -41.12 87.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.663 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -107.68 3.81 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.437 0.637 . . . . 0.0 110.605 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 56.6 m-70 -132.87 72.68 76.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 96.1 Cg_endo -95.38 149.64 1.53 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.99 2.46 . . . . 0.0 113.452 -173.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 5.3 Cg_exo -75.92 1.88 7.68 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.198 2.599 . . . . 0.0 111.986 176.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.62 -37.87 89.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.822 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -80.76 2.0 28.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.801 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 129' ' ' HIS . 68.2 mt -79.62 -27.74 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.876 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 9' ' ' SER . 17.4 pt -108.98 -4.92 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.266 -175.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 34' ' ' ASN . 2.0 p-10 -97.66 -26.15 14.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.504 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.39 15.18 81.34 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.914 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 87.4 m-20 -95.12 140.87 22.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.619 0.21 . . . . 0.0 110.756 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 9.1 Cg_exo -72.91 19.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.458 2.772 . . . . 0.0 112.808 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ASN . 8.2 tp10 -61.75 -68.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 110.812 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 38' ' ' PHE . 5.1 m -138.8 176.85 8.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.437 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.637 ' H ' HG22 ' A' ' 37' ' ' THR . 43.3 p90 -141.37 155.43 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.704 0.288 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.521 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.9 t90 -90.8 109.88 21.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 11.4 t -109.24 144.46 37.33 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 8.8 p -76.36 146.24 38.91 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.024 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -8.79 57.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.551 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.39 15.88 28.74 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.117 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.2 ttt -105.72 74.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.99 144.39 92.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.02 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.647 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 87.9 Cg_endo -88.47 152.19 33.62 Favored 'Cis proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.79 -0.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 53.0 mt-30 -128.5 131.33 48.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.33 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.5 166.47 17.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.55 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.49 150.8 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.651 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.5 mt -118.19 137.67 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 -176.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 HG12 ' A' ' 15' ' ' VAL . 64.6 mt -121.13 130.89 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 13' ' ' SER . 17.0 p -108.55 124.02 49.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.56 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 96.3 m-85 -75.04 -16.6 60.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 72.73 2.03 4.21 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.101 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -159.7 168.84 25.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.917 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -84.86 108.14 17.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 110.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 m -114.59 151.0 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.737 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.524 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 30.0 ttm180 -99.23 114.88 27.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.0 mt -89.59 125.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.153 0.502 . . . . 0.0 110.043 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CD ' HH21 ' A' ' 2' ' ' ARG . 3.4 tp10 -102.15 -36.03 8.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.887 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.748 ' HD2' ' HB3' ' A' ' 104' ' ' GLU . 45.7 ttp180 -163.39 149.57 11.87 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.331 -176.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.37 121.53 41.35 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.85 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 87.3 t -91.36 100.33 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.582 HG23 HG12 ' A' ' 131' ' ' VAL . 31.0 mm -94.27 109.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.619 ' HG2' ' HB3' ' A' ' 102' ' ' ASN . 44.8 mt-30 -95.79 102.16 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.852 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 m -144.4 166.33 25.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.072 0.463 . . . . 0.0 111.002 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -135.32 117.2 15.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HD1' ' HB2' ' A' ' 122' ' ' PHE . 30.3 m-85 57.45 87.16 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.89 0.744 . . . . 0.0 112.793 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 70' ' ' GLN . 1.4 t -118.67 -165.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.611 ' H ' HG12 ' A' ' 69' ' ' VAL . 43.1 tt0 -163.37 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 16.6 m -85.25 94.26 8.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.427 0.632 . . . . 0.0 109.988 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD11 ' HD2' ' A' ' 116' ' ' PHE . 15.7 tp -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.751 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 90' ' ' GLU . 62.1 tttm -99.45 109.47 22.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.75 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.6 mt -97.6 113.62 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.95 0.405 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' CB ' ' HB3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -95.77 142.44 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.864 177.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 34.4 ttpt -125.83 139.82 53.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.508 -177.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 22.8 t -141.42 143.85 34.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.862 0.363 . . . . 0.0 110.358 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -110.68 14.44 22.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.563 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 t -84.6 167.84 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.472 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 8.2 mtpm? -87.09 -14.47 41.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 109.943 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.17 150.18 36.48 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.995 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.08 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.586 2.191 . . . . 0.0 112.431 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.98 160.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.8 t70 64.43 101.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.135 0.897 . . . . 0.0 111.282 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 94.4 m-85 -127.24 144.43 51.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.369 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -78.48 119.46 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.201 0.524 . . . . 0.0 109.653 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -97.55 -69.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.643 HG22 ' HD3' ' A' ' 91' ' ' LYS . 4.6 mt -137.63 97.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.977 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.747 ' HB3' ' HG3' ' A' ' 73' ' ' LYS . 9.0 pt-20 -104.9 108.39 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 174.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.643 ' HD3' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -155.44 160.56 40.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.719 -173.327 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.579 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 6.2 p-10 -118.24 95.99 5.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.654 0.74 . . . . 0.0 110.926 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.407 ' HG ' ' CG ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -126.15 94.08 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.884 178.418 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.539 HG21 ' C ' ' A' ' 69' ' ' VAL . 59.5 t -136.72 98.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.139 0.495 . . . . 0.0 111.235 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.509 ' H ' ' CD2' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -111.87 90.78 3.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.135 171.218 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 101' ' ' GLN . 50.8 p -131.87 109.23 9.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.15 100.47 10.06 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.732 168.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.11 36.83 62.13 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.519 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -140.14 136.41 33.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.998 0.399 . . . . 0.0 111.658 -169.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.94 101.84 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.472 ' HB2' HG22 ' A' ' 96' ' ' THR . 26.1 tp60 -95.48 110.24 22.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 111.173 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -94.93 99.7 11.69 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 166.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.1 135.12 34.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.593 -169.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 43.5 mt-10 -94.62 99.61 11.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.72 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.57 103.83 13.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.884 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.16 96.49 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.043 0.449 . . . . 0.0 110.13 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.41 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -98.93 125.86 44.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.387 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 136.47 4.15 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.924 176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 p -92.65 132.86 36.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -154.42 158.64 40.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.191 0.519 . . . . 0.0 112.098 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.2 p -117.78 -34.25 4.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.515 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -126.03 128.27 47.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.164 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 28.2 mt -114.82 130.96 56.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 173.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 63.3 ttt180 -113.49 104.72 12.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' HD2' HD11 ' A' ' 72' ' ' LEU . 56.8 m-85 -90.62 103.88 16.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.781 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.4 mt -99.81 106.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.291 178.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.49 101.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.647 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 47.4 t -73.14 -57.26 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.589 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -138.16 167.23 22.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.05 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.84 160.23 40.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' A' ' 68' ' ' PHE . 3.6 m-30 -60.38 -30.04 69.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.992 0.425 . . . . 0.0 110.796 177.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -122.65 -175.7 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.828 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -80.55 -22.32 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.849 0.356 . . . . 0.0 110.451 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.27 122.33 44.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.981 0.42 . . . . 0.0 110.839 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.06 116.79 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 14.9 m -112.12 137.08 50.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.894 -175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.7 p -126.91 139.75 50.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 0.0 110.117 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 16.6 t-80 -97.84 -56.62 2.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 47.5 t -164.55 127.89 2.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.716 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.582 HG12 HG23 ' A' ' 64' ' ' ILE . 7.0 m -98.28 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.332 0.587 . . . . 0.0 109.441 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.9 m -90.64 132.35 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.589 -172.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.53 114.39 28.53 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 46.6 mt-10 -93.98 130.76 39.97 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.59 -162.16 35.95 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.18 148.74 48.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 117.17 0.485 . . . . 0.0 109.969 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.51 134.99 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.34 -51.17 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.496 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 179.272 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.545 ' HA ' ' CG2' ' A' ' 136' ' ' THR . 7.8 ptm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 27.5 mtpp -125.28 105.61 9.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.07 0.462 . . . . 0.0 110.375 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 10.4 tt -155.45 131.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.404 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 132' ' ' SER . 19.7 m-20 -74.62 98.04 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.402 0.62 . . . . 0.0 109.992 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 50.0 mt -79.84 -1.31 38.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.886 -171.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 99.3 m -91.8 -3.48 56.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.669 0.271 . . . . 0.0 111.276 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.655 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 63.1 mt -68.64 148.03 51.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 111.886 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -62.51 -25.15 67.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.667 172.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -69.85 -20.41 63.42 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.423 0.63 . . . . 0.0 110.025 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 29.3 mm-40 -90.41 -3.89 57.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.936 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.62 4.9 82.47 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 m -83.61 119.6 24.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' A' ' 31' ' ' ILE . 45.5 mt-10 -110.13 155.2 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -93.79 137.31 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.868 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.556 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.1 tt -141.56 131.16 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.542 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 69.78 100.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.604 175.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.81 131.43 46.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.245 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.646 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 18.5 m -72.09 -34.62 68.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 0.0 111.043 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -113.76 131.19 56.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 m -145.02 136.92 25.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.68 148.45 49.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.122 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.81 -25.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 111.177 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -94.52 -23.18 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.417 0.627 . . . . 0.0 109.683 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.15 78.06 59.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.195 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 5.9 Cg_exo -77.73 129.35 9.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.985 2.457 . . . . 0.0 112.705 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 11.1 Cg_exo -70.88 -5.8 17.71 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.185 2.59 . . . . 0.0 111.844 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.04 -29.71 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.649 ' HB2' HG21 ' A' ' 37' ' ' THR . 47.7 m-80 -95.7 1.78 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.899 -174.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 tt -63.7 -28.59 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 110.695 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 20.3 pt -86.6 -16.75 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.88 -20.08 39.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.724 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.1 47.04 86.07 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.237 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.36 117.32 67.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.22 . . . . 0.0 110.476 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.13 -16.56 55.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.872 2.381 . . . . 0.0 112.752 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -88.12 -2.44 58.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 29' ' ' ASN . 38.5 m -117.95 115.67 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -120.45 126.83 51.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.713 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.565 ' HE3' HG12 ' A' ' 128' ' ' VAL . 72.3 t90 -97.02 132.35 42.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.162 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 t -127.13 156.04 42.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.621 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.563 HG22 HE21 ' A' ' 47' ' ' GLN . 62.3 p -84.29 149.46 26.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 p -91.4 16.63 9.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.045 0.45 . . . . 0.0 111.023 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.12 -1.76 88.43 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.261 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.1 ttt -92.33 95.7 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 97.3 m-85 -106.82 154.79 39.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.666 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 43.5 Cg_endo -68.07 154.64 88.13 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.814 -1.328 . . . . 0.0 112.897 1.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.646 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 6.8 tp-100 -110.44 111.98 23.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.304 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.5 pt-20 -118.19 140.04 50.39 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.965 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 41.5 p90 -150.09 139.62 21.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.562 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' HG23 ' A' ' 16' ' ' ILE . 53.5 mt -109.56 134.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 111.048 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.6 mt -113.77 121.66 66.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.77 118.78 37.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 111.465 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -72.13 -27.39 62.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.532 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 68.56 6.44 5.44 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.442 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HG3' HG13 ' A' ' 57' ' ' VAL . 58.8 pttt -150.1 173.72 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.864 0.364 . . . . 0.0 111.251 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -90.03 105.62 17.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.701 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.58 ' HB ' HD13 ' A' ' 6' ' ' LEU . 26.7 m -124.66 142.57 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.632 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -102.95 115.73 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 93.3 mt -89.73 136.79 22.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.034 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HG2' ' CE1' ' A' ' 108' ' ' HIS . 5.8 tm-20 -113.73 -30.9 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD3' ' CD ' ' A' ' 104' ' ' GLU . 5.1 ttm180 -154.7 146.78 23.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.929 -172.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 79.1 mt -113.37 126.51 55.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.8 t -104.8 98.55 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.695 HG23 HG22 ' A' ' 131' ' ' VAL . 14.4 mt -116.63 121.74 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 0.0 111.52 -174.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' OE1' HD11 ' A' ' 100' ' ' LEU . 8.8 tt0 -111.68 102.36 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.951 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.889 ' HB3' HG23 ' A' ' 128' ' ' VAL . 29.9 p -160.27 147.51 16.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.394 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.653 ' HE2' HD22 ' A' ' 100' ' ' LEU . 2.1 m-85 -125.78 158.95 33.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.664 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.616 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 66.5 m-85 72.37 -2.68 2.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.202 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.44 127.43 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 58.3 tt0 -104.09 -72.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.785 0.326 . . . . 0.0 111.046 -176.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 103.1 12.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 111.045 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 116' ' ' PHE . 36.3 tp -117.37 102.12 8.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.737 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.65 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -89.95 120.54 31.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 109.741 179.006 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 HG13 ' A' ' 89' ' ' ILE . 26.5 mt -93.26 117.34 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.912 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 29.5 tt0 -111.6 135.97 51.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.105 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.1 ptpp? -106.76 153.77 21.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.408 . . . . 0.0 111.503 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.774 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.3 t -143.16 142.15 31.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 169.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 21.34 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.393 0.616 . . . . 0.0 110.165 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.3 t -92.28 179.98 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.8 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 11.8 ptmm? -95.01 -14.6 24.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 0.0 110.224 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 10.2 mp0 -102.71 156.0 35.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.582 173.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.28 46.24 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.72 2.28 . . . . 0.0 112.192 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.73 -177.99 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.39 77.14 0.23 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.485 0.659 . . . . 0.0 110.311 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.479 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 25.3 m-85 -106.51 131.54 53.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.362 -176.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 33.7 tt0 -119.46 119.33 33.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.128 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -57.16 132.17 52.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.413 . . . . 0.0 110.426 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -102.4 -71.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.75 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -144.47 125.05 8.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.707 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 42.9 tt0 -94.88 109.11 21.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 105' ' ' ILE . 19.5 mmmt -100.57 119.22 38.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.319 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 9.1 p-10 -95.61 112.49 24.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.883 172.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.83 144.26 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -91.81 148.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.33 134.55 34.81 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.936 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.83 123.05 39.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.512 168.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.82 121.18 41.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.913 -171.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.25 -27.58 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.121 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -100.38 135.54 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.653 HD22 ' HE2' ' A' ' 67' ' ' TYR . 2.4 tm? -100.99 112.8 25.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.83 0.347 . . . . 0.0 110.099 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -129.21 145.33 51.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -99.71 142.01 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -92.3 110.56 21.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.191 0.519 . . . . 0.0 109.776 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' CD ' ' HD3' ' A' ' 61' ' ' ARG . 34.9 tt0 -88.24 108.56 19.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.624 176.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' HG3' ' A' ' 91' ' ' LYS . 61.9 mt -102.51 109.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.886 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.24 106.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.456 0.646 . . . . 0.0 110.077 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.22 109.54 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.461 -171.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 15.6 m-70 -103.28 110.21 22.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.22 157.69 30.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.741 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.9 m -104.56 123.39 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.95 149.0 32.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.5 p -106.13 -30.25 9.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.889 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 48.3 m-85 -127.38 129.39 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.65 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.3 mt -122.03 120.01 33.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.575 0.226 . . . . 0.0 110.567 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -106.76 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.935 0.398 . . . . 0.0 110.451 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 72' ' ' LEU . 86.8 m-85 -89.79 117.05 28.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.653 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.65 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 55.9 mt -113.78 102.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.892 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 58.8 mt -86.08 111.58 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -77.54 -54.66 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.441 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -139.02 163.96 31.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -129.89 170.73 13.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.203 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 70.4 m-85 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.191 0.519 . . . . 0.0 109.631 176.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -120.54 -172.37 2.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -93.4 -7.14 45.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 110.294 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.65 122.18 34.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.491 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.48 155.76 34.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.952 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 m -142.85 141.15 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.889 HG23 ' HB3' ' A' ' 66' ' ' SER . 7.7 p -116.97 141.74 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -106.53 -32.69 7.96 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.877 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -168.19 136.5 2.29 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.778 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.695 HG22 HG23 ' A' ' 64' ' ' ILE . 82.4 t -134.81 113.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 48.8 p -130.54 151.33 51.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.893 0.377 . . . . 0.0 110.989 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -115.88 116.69 28.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 38.2 mt-10 -94.09 153.3 18.2 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.212 0.529 . . . . 0.0 110.546 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.25 -139.34 6.49 Favored Glycine 0 N--CA 1.437 -1.25 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.545 ' CG2' ' HA ' ' A' ' 2' ' ' ARG . 18.3 p -142.16 126.8 17.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.961 0.41 . . . . 0.0 111.055 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.37 131.85 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.972 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.21 -52.16 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.977 0.418 . . . . 0.0 110.554 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.422 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 16.0 ptt180 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -138.87 132.8 31.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 0.0 110.895 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.454 HG23 ' HG ' ' A' ' 6' ' ' LEU . 8.6 tt -155.56 150.36 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.94 86.33 2.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 110.352 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 45.1 mt -77.0 -4.13 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.076 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 132' ' ' SER . 20.1 t -94.61 -3.11 50.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 71.3 mt -73.53 142.98 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 0.0 110.891 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB2' HD12 ' A' ' 31' ' ' ILE . 15.7 t -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -81.42 -11.38 59.27 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.279 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.42 25.51 7.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.268 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 16.9 m -126.01 120.31 29.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.53 164.61 15.04 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 51' ' ' ILE . 20.9 m -89.96 134.39 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 110.319 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 50' ' ' ILE . 10.2 tt -129.94 133.55 64.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.144 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 65.65 91.77 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.26 133.27 56.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.792 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 30.9 m -62.07 -41.9 98.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.444 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -128.48 139.67 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 110.694 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -149.0 135.46 19.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.728 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -121.75 158.98 27.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -86.39 -20.22 28.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.229 0.538 . . . . 0.0 109.996 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -88.17 -20.98 24.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.708 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -131.32 84.79 55.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.482 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.5 Cg_endo -85.01 140.33 7.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.081 2.521 . . . . 0.0 112.548 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 32.1 Cg_exo -60.99 -14.7 34.55 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.31 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.97 -31.45 65.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.006 0.431 . . . . 0.0 110.36 174.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.93 -43.37 77.32 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.421 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.9 mt -64.64 -54.91 24.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.616 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.3 pt -84.74 -5.97 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.32 -18.86 18.11 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.575 173.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 49.14 6.39 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.607 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 4.9 m-20 -95.48 120.56 63.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.759 -177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 5.7 Cg_exo -80.59 17.3 1.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.994 2.463 . . . . 0.0 112.421 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -81.62 -70.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -109.93 -170.71 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.33 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -143.86 153.19 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.438 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.59 ' HE3' HG12 ' A' ' 128' ' ' VAL . 88.9 t90 -92.16 121.98 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 t -122.16 157.32 31.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.997 0.427 . . . . 0.0 110.839 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.759 HG22 ' HG3' ' A' ' 47' ' ' GLN . 39.4 p -78.53 136.17 37.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.598 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -78.0 -8.01 57.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.699 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.48 -14.64 35.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.815 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.2 tpt -91.29 104.42 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.695 0.283 . . . . 0.0 110.279 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -95.75 156.31 37.49 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.421 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.0 Cg_endo -82.92 171.5 52.15 Favored 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.6 -1.417 . . . . 0.0 112.003 -1.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.759 ' HG3' HG22 ' A' ' 41' ' ' THR . 83.1 mm-40 -107.03 111.3 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.225 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.0 136.37 53.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 35.6 p90 -149.86 133.83 17.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.066 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.487 ' HB ' HG23 ' A' ' 16' ' ' ILE . 57.0 mt -100.13 142.07 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.021 -177.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 15' ' ' VAL . 36.3 mt -117.59 118.98 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' SER . 7.6 p -101.35 119.84 39.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.699 ' HE2' ' HB2' ' A' ' 114' ' ' LEU . 88.0 m-85 -85.2 -20.43 30.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 72.53 -17.15 0.4 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.142 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -136.91 -179.82 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 0.0 110.993 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -88.16 108.56 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HB ' HD13 ' A' ' 6' ' ' LEU . 28.8 m -114.76 143.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.156 0.503 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 3.0 tpt180 -92.56 105.76 17.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.668 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 69.1 mt -89.91 129.29 41.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' OE1' ' HD2' ' A' ' 2' ' ' ARG . 20.3 tt0 -123.57 -35.54 2.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.845 0.355 . . . . 0.0 110.577 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -140.16 148.17 41.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.622 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.8 mp -112.68 116.42 30.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.975 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.26 110.72 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.397 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 mm -112.2 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.321 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -105.84 102.23 11.69 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG23 ' A' ' 128' ' ' VAL . 14.9 p -154.38 177.36 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.92 -177.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.686 ' HD2' HD23 ' A' ' 100' ' ' LEU . 2.4 t80 -129.22 145.86 51.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.784 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 67.56 -100.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.334 0.653 . . . . 0.0 111.592 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.885 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.1 t 55.89 -168.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.849 -174.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.885 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.5 tt0 -170.11 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -109.62 102.99 11.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.146 0.498 . . . . 0.0 111.361 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.9 tp -114.16 109.86 19.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.624 ' HE3' HD12 ' A' ' 117' ' ' ILE . 41.2 pttt -102.14 142.63 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 0.0 109.943 176.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.937 HD12 HG13 ' A' ' 89' ' ' ILE . 39.9 mt -113.45 119.77 61.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.852 -176.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.986 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 51.0 mt-10 -105.94 132.59 51.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.504 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -114.53 143.73 44.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.208 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -143.05 141.79 31.39 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -107.81 11.43 28.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.908 0.385 . . . . 0.0 111.394 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.4 p -86.73 178.68 6.95 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.761 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.28 7.21 46.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 108.918 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.496 ' HB2' HG22 ' A' ' 83' ' ' VAL . 24.3 mt-10 -119.28 156.47 52.79 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.527 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.86 42.87 1.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.651 2.234 . . . . 0.0 112.191 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.7 m -126.17 148.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 111.726 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t70 58.36 92.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.026 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.986 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 79.2 m-85 -113.78 122.07 45.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.58 134.09 36.22 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.483 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.67 106.55 2.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.094 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -75.79 -67.83 0.63 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.104 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.937 HG13 HD12 ' A' ' 74' ' ' ILE . 5.1 pt -140.93 143.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.91 111.69 19.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -114.03 120.38 40.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 4.7 p-10 -97.89 132.76 43.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.77 145.01 25.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.229 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.33 122.44 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -62.85 139.93 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.453 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 2.2 p -117.81 112.6 20.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 172.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.73 103.23 12.86 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.986 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.37 -1.54 53.82 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.189 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.654 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 82.6 mt-30 -122.26 118.53 28.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.686 HD23 ' HD2' ' A' ' 67' ' ' TYR . 3.5 tm? -89.0 116.6 27.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 173.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -107.28 141.07 39.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.44 0.638 . . . . 0.0 112.139 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -102.43 102.22 12.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 165.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.23 143.06 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.035 0.445 . . . . 0.0 111.233 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.76 108.46 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.351 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 70.2 mt -91.57 113.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.994 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.99 105.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.345 0.593 . . . . 0.0 111.197 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.13 120.78 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.908 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.668 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.4 p80 -107.82 121.97 45.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.368 0.604 . . . . 0.0 110.758 -177.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.0 -174.09 35.89 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.651 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -126.19 129.32 48.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.56 121.31 9.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 m -78.03 -31.8 50.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.729 0.776 . . . . 0.0 109.13 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -124.45 124.63 42.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.274 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.699 ' HB2' ' HE2' ' A' ' 53' ' ' PHE . 1.8 tm? -114.7 108.99 17.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -106.39 112.88 26.08 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 111.586 -171.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -90.77 134.34 34.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.36 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' A' ' 73' ' ' LYS . 58.6 mt -130.68 106.44 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 111.137 176.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.4 101.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.815 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 45.7 t -67.8 -49.87 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.616 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 t -154.33 169.13 24.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.843 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.12 30.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.001 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -64.28 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.87 170.85 7.66 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.98 -16.28 55.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.09 0.471 . . . . 0.0 110.158 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -118.29 122.42 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.324 0.583 . . . . 0.0 110.949 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.68 148.1 38.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.025 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -141.48 133.77 28.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.59 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.6 p -113.49 148.87 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.494 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.476 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 9.2 t60 -106.31 -46.17 4.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.924 0.392 . . . . 0.0 110.349 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -171.05 152.71 3.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.77 146.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 64.7 m -136.44 145.04 44.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.27 117.18 33.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -93.93 135.3 35.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 163.59 -147.81 13.72 Favored Glycine 0 N--CA 1.437 -1.234 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 2' ' ' ARG . 7.7 p -138.47 139.55 38.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.504 0.192 . . . . 0.0 110.604 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.0 120.7 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 0.0 110.162 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.5 t -77.94 -51.88 17.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 0.0 110.381 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.3 p . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.154 -179.025 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptm . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 2' ' ' ARG . 68.9 mtt180 61.58 -170.91 0.16 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.967 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 53.15 70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.3 0.572 . . . . 0.0 111.688 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.7 tt -103.25 158.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.252 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.61 ' HB3' HD13 ' A' ' 8' ' ' LEU . 57.6 m-20 -71.42 89.89 0.95 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.28 0.562 . . . . 0.0 111.069 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 26.0 mt -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.951 -172.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 31' ' ' ILE . 36.7 t -92.47 -4.06 54.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -168.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 5' ' ' ASP . 9.2 mp -91.38 158.26 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -174.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 31' ' ' ILE . 26.9 t -74.21 -21.3 59.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.437 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m -63.47 -24.54 67.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.677 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -99.5 7.7 45.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.806 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.73 30.82 34.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.179 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -118.47 116.02 25.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.853 0.326 . . . . 0.0 110.178 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -109.05 175.46 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.948 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.58 147.6 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 111.272 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.728 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.7 tt -145.09 163.22 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.666 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' HG12 ' A' ' 16' ' ' ILE . 1.0 OUTLIER 67.24 24.54 9.11 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.691 0.397 . . . . 0.0 112.006 169.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.12 106.49 2.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.786 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -56.34 -53.16 60.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.178 0.513 . . . . 0.0 110.812 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 45.0 t -108.84 105.2 14.66 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -125.12 117.82 24.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.125 0.488 . . . . 0.0 110.566 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 9.4 t0 -93.55 146.89 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.257 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.08 -22.84 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.784 -176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -102.92 -18.62 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.236 0.541 . . . . 0.0 110.204 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 57.4 m80 -111.04 74.61 1.01 Allowed Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.22 126.41 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.626 2.217 . . . . 0.0 113.614 -166.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.66 -16.48 19.39 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.361 2.707 . . . . 0.0 112.651 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.43 -22.83 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.611 0.243 . . . . 0.0 110.762 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 3.3 p30 -66.22 -27.44 67.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.68 -39.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 110.483 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 9' ' ' SER . 13.9 pt -96.83 11.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.518 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.0 t70 -104.98 -59.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.262 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.19 31.2 6.29 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.988 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -97.22 122.84 54.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 117.342 0.571 . . . . 0.0 110.359 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.13 -31.3 92.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.448 2.765 . . . . 0.0 113.623 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.96 -16.48 63.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 p -115.72 146.68 41.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.839 0.352 . . . . 0.0 111.561 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -154.13 161.24 42.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.796 ' HE3' HG12 ' A' ' 128' ' ' VAL . 77.4 t90 -100.08 121.59 41.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 t -125.4 147.72 49.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.71 146.57 37.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 -176.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.5 p -88.47 3.5 49.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 110.41 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.49 0.83 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.013 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.563 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 1.4 mpt? -112.43 96.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.807 -0.231 . . . . 0.0 110.853 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -106.99 128.66 25.65 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.14 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.783 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.7 Cg_exo -76.67 164.26 87.88 Favored 'Cis proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.488 -1.463 . . . . 0.0 112.043 -1.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.618 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 8.3 pt20 -117.76 113.76 22.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.29 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.9 pt-20 -124.8 153.55 42.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 111.156 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.82 155.44 25.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 16' ' ' ILE . 56.0 mt -113.19 140.35 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.934 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -109.21 118.39 56.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -93.8 109.38 21.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 91.9 m-85 -72.91 -29.03 62.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.015 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 141' ' ' LEU . 97.5 m-70 65.99 13.11 8.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.564 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.5 pttm -158.26 163.67 37.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.105 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -88.25 107.47 18.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 55' ' ' LYS . 27.2 m -114.59 149.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 0.0 OUTLIER -101.9 107.74 19.0 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.93 127.47 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.387 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.26 -28.52 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.212 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.734 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 64.1 mtt180 -144.96 154.92 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.097 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.9 mp -118.53 113.97 22.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.9 107.57 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 131' ' ' VAL . 48.9 mt -119.07 118.28 57.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -113.5 102.2 10.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -140.53 170.96 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.749 0.309 . . . . 0.0 111.189 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -122.58 153.88 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 73.38 -23.55 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 167.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.04 135.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 122.8 0.44 . . . . 0.0 112.186 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -113.87 -68.37 0.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 p -106.14 108.99 20.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.032 0.444 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 tp -107.71 103.3 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.624 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 31.0 tttp -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.838 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.58 ' HB ' HG13 ' A' ' 89' ' ' ILE . 58.1 mt -93.12 116.76 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 35.1 tt0 -117.0 142.9 46.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 11.3 ptmm? -122.5 154.97 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 111.914 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 44.4 t -140.71 140.82 34.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.928 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -121.32 25.41 9.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.51 0.672 . . . . 0.0 109.562 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -84.16 -171.49 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.208 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.845 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 20.3 ptmt -102.88 -15.54 16.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.841 176.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.845 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 38.4 mt-10 -119.17 165.18 17.84 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -70.1 46.11 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.294 2.663 . . . . 0.0 112.277 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.1 m -143.45 -178.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 122.905 0.482 . . . . 0.0 110.117 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.9 t0 57.25 84.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.387 0.613 . . . . 0.0 111.552 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 68.3 m-85 -116.82 166.98 11.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.33 134.93 34.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.309 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -64.95 118.08 8.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.455 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 8.1 t90 -96.16 -68.93 0.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 74' ' ' ILE . 2.2 pt -144.82 95.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.297 0.57 . . . . 0.0 111.323 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.14 103.65 16.25 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -122.01 147.6 45.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.876 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.6 145.38 26.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.488 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 94' ' ' VAL . 5.1 tt -112.14 147.01 37.03 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' O ' HD23 ' A' ' 93' ' ' LEU . 68.0 t -81.47 132.66 30.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -57.05 106.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 101' ' ' GLN . 33.7 p -98.28 110.67 23.21 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.865 0.841 . . . . 0.0 112.058 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.58 101.18 10.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.667 -1.152 . . . . 0.0 110.111 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.94 21.71 78.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.223 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -125.52 117.81 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.023 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 100' ' ' LEU . 26.6 mt -74.62 97.63 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 175.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.673 ' HB2' HG21 ' A' ' 96' ' ' THR . 55.3 tp60 -93.62 103.55 15.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.83 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -83.37 112.15 19.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.38 110.15 21.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.446 0.641 . . . . 0.0 111.2 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.25 94.29 8.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.177 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 67.5 mt -95.28 110.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 m -82.45 87.67 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.783 0.801 . . . . 0.0 110.512 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -124.71 122.81 38.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.292 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -109.28 110.55 21.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.355 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.11 160.42 34.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.79 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.4 m -100.88 135.06 42.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.85 43.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.195 0.521 . . . . 0.0 111.842 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.5 p -118.41 -28.61 5.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.856 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.545 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 80.3 m-85 -137.01 142.62 42.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.814 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 82.6 mt -129.13 130.73 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.512 ' HG3' HG12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -110.93 108.9 18.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.192 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 32.7 m-85 -88.95 109.75 20.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.079 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.785 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.2 mt -105.67 97.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.315 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.618 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 30.9 mt -85.1 96.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.783 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 36.1 t -65.94 -51.27 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.989 -173.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.2 m -146.2 164.12 33.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.464 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.97 165.83 25.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.397 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.61 -21.24 61.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 109.949 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.12 151.82 37.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.032 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -78.45 11.56 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.074 0.464 . . . . 0.0 111.445 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -133.42 122.39 23.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.0 134.18 55.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 11.6 p -132.14 125.83 32.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.395 0.616 . . . . 0.0 111.63 -176.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.796 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -97.15 131.89 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -104.36 -40.27 6.15 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.79 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -156.16 131.48 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.638 0.256 . . . . 0.0 110.623 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 64' ' ' ILE . 18.1 m -136.41 140.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.482 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 22.7 t -149.87 147.08 27.52 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.62 125.91 51.53 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 64.3 mt-10 -94.09 107.67 19.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.336 0.589 . . . . 0.0 110.404 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -174.73 -147.52 6.19 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.26 156.01 42.56 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 117.54 0.67 . . . . 0.0 110.846 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 57' ' ' VAL . 24.0 m -75.54 130.41 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.31 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.97 -41.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 110.421 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.6 m -132.42 124.73 29.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -79.4 137.72 37.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 49.5 tp -62.9 -52.19 64.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.756 0.312 . . . . 0.0 111.503 -174.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 p -91.67 8.31 37.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.118 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.612 -179.65 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.9 ptp85 -167.35 23.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HA ' ' HB3' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -145.25 68.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.685 -0.806 . . . . 0.0 112.827 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tt -101.99 136.37 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -70.43 96.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.479 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.81 -8.02 59.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.941 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.0 m -92.97 -3.69 54.02 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.58 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 66.8 mt -65.93 137.23 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.166 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' SER . 16.8 m -66.31 -15.9 63.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.849 174.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -73.66 -23.9 59.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.583 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.8 -7.6 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.527 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.64 6.71 54.51 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.327 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' SER . 20.4 m -86.84 121.82 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.569 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -116.2 157.37 24.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -93.15 143.01 12.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.198 0.523 . . . . 0.0 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 50' ' ' ILE . 8.2 tt -139.6 130.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.468 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.2 tt 70.34 90.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.671 0.607 . . . . 0.0 110.38 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.6 130.02 54.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.2 m -53.58 -55.31 26.82 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -117.98 145.39 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -145.56 132.05 19.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.714 0.292 . . . . 0.0 110.326 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -116.46 154.53 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.356 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.68 -40.78 69.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.168 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.57 -33.49 31.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.977 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -129.92 81.52 68.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.907 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 Cg_endo -73.56 155.65 49.95 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.51 2.14 . . . . 0.0 111.854 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.58 -9.51 18.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.048 2.499 . . . . 0.0 112.922 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.02 -14.0 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 0.0 110.23 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.492 ' OD1' ' HD2' ' A' ' 26' ' ' PRO . 10.7 m120 -86.1 -1.66 57.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.292 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 130' ' ' SER . 67.3 mt -69.99 -23.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.729 0.776 . . . . 0.0 109.109 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 40.2 mt -107.96 -87.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.075 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 20.6 t70 69.27 -46.14 0.57 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.901 0.88 . . . . 0.0 113.101 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.57 -6.44 33.58 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 93.3 m-20 -121.17 113.16 32.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' OG ' ' A' ' 130' ' ' SER . 16.8 Cg_exo -68.2 -6.62 17.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.177 2.584 . . . . 0.0 112.095 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.28 -17.56 61.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.569 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 159.74 15.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.177 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -153.9 158.79 41.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.838 0.351 . . . . 0.0 111.472 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' HE3' HG12 ' A' ' 128' ' ' VAL . 33.2 t90 -125.38 148.17 48.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.05 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 126' ' ' ALA . 7.9 t -136.97 147.51 46.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.816 0.341 . . . . 0.0 110.472 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -76.83 151.61 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 p -89.52 36.36 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 111.371 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.6 25.23 54.36 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.037 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 88.4 mtp -112.43 108.39 17.51 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -106.7 146.58 33.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.626 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -84.3 178.43 26.47 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.325 -1.531 . . . . 0.0 112.029 -1.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.464 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 1.0 OUTLIER -107.24 111.72 24.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.651 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.99 128.14 56.1 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.873 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 33.4 p90 -147.39 134.84 20.79 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.36 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 114' ' ' LEU . 67.1 mt -109.27 135.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -110.91 121.77 64.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 47.9 t -97.7 117.03 31.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.283 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 91.7 m-85 -72.76 -29.41 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.653 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 66.38 2.81 2.56 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.711 -174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.811 ' HD2' ' HA ' ' A' ' 140' ' ' ASN . 48.4 mtmt -136.54 173.35 11.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -172.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 22.8 m-70 -100.74 105.67 17.02 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.691 HG12 HG23 ' A' ' 137' ' ' VAL . 34.6 m -121.88 146.77 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.302 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -102.41 117.12 34.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.244 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 87.5 mt -89.67 129.35 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB3' ' HA2' ' A' ' 135' ' ' GLY . 4.2 tp10 -111.58 -22.34 11.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.875 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.77 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 18.8 ttt180 -162.32 155.77 20.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.291 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -132.31 117.53 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.49 102.33 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.046 0.451 . . . . 0.0 109.819 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.16 124.58 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.912 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.51 102.45 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.087 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 24.2 m -149.96 -174.62 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.496 -175.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.556 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -140.0 159.83 41.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.187 175.098 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 65.48 -96.75 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.85 0.719 . . . . 0.0 111.191 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.892 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.8 t 55.9 -168.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 123.538 0.524 . . . . 0.0 110.214 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.892 ' H ' HG12 ' A' ' 69' ' ' VAL . 36.2 tt0 177.44 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -118.42 101.49 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.435 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 HG12 ' A' ' 118' ' ' ILE . 43.9 tp -116.51 116.43 27.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.086 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.707 ' HE2' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -100.18 130.24 46.29 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.586 177.058 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.547 HD12 HG13 ' A' ' 89' ' ' ILE . 47.3 mt -98.71 102.57 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.889 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.707 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 18.2 tt0 -107.22 133.17 52.19 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.148 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 15.1 ptmm? -118.87 150.93 39.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 65.7 m -134.21 118.46 17.64 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.104 0.478 . . . . 0.0 110.293 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.42 32.08 3.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -85.29 164.15 18.19 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.251 -172.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -89.28 -16.48 31.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.388 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 62.9 mm-40 -116.5 164.21 19.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.672 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 84.8 Cg_endo -77.99 34.43 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.298 1.999 . . . . 0.0 112.514 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.9 m -137.32 -173.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.872 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 61.55 98.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.433 0.635 . . . . 0.0 110.052 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -105.44 128.46 53.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.533 -171.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -104.09 120.89 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.371 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.68 138.89 58.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.055 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.401 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 10.7 t90 -130.83 -79.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.841 -176.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.547 HG13 HD12 ' A' ' 74' ' ' ILE . 5.5 pt -142.68 156.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.934 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -120.01 140.58 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.08 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE3' HG12 ' A' ' 105' ' ' ILE . 35.4 mmtt -128.54 107.48 9.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.534 0.683 . . . . 0.0 111.399 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.44 126.28 45.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.05 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 69' ' ' VAL . 82.7 mt -111.26 152.79 26.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.607 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -112.87 147.81 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.78 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -64.99 103.31 0.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.178 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 2.6 p -91.6 137.28 32.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.719 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.91 117.1 32.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.47 -25.87 4.84 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 19.8 tt0 -93.53 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.329 . . . . 0.0 110.623 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.2 tt -77.88 137.19 38.23 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 100' ' ' LEU . 73.7 mm-40 -72.37 83.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 0.0 111.492 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.41 95.21 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 168.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.98 121.32 40.78 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -174.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HG2' ' NH2' ' A' ' 61' ' ' ARG . 2.5 mp0 -99.13 92.99 5.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.607 0.718 . . . . 0.0 109.819 174.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 59.6 mt -86.87 95.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.674 -176.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.07 105.92 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.403 0.621 . . . . 0.0 109.961 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.84 131.74 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -99.44 120.58 39.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.79 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -167.1 140.05 6.08 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.466 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 m -100.52 131.34 46.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.47 155.63 39.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 111.803 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 p -106.73 -30.7 8.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.513 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 64.1 m-85 -130.11 137.88 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.259 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 32.7 mt -114.73 122.35 46.16 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HE ' HD11 ' A' ' 117' ' ' ILE . 52.2 ttt85 -110.76 96.06 5.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.352 0.596 . . . . 0.0 110.425 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.26 123.17 30.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.596 HD12 ' HD2' ' A' ' 73' ' ' LYS . 81.8 mt -122.5 107.23 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.103 0.478 . . . . 0.0 110.97 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.614 HG12 HD13 ' A' ' 72' ' ' LEU . 52.9 mt -87.88 102.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.658 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -74.43 -41.05 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.929 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -151.07 160.7 43.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.601 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.56 162.35 37.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.601 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -64.26 -23.66 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.265 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -126.04 -176.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -90.9 -18.31 24.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 109.571 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.29 122.37 45.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.316 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 40' ' ' THR . . . -114.56 112.41 22.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.9 p -104.99 114.03 27.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 0.0 111.467 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.426 HG12 ' HE3' ' A' ' 39' ' ' TRP . 6.3 p -104.68 132.11 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.451 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -84.97 -64.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.616 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 42.1 m -152.59 144.22 23.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.55 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 30' ' ' ILE . 13.3 m -121.04 122.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.888 175.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -120.59 138.43 53.9 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.475 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.45 26.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 53.5 mt-10 -94.24 139.94 30.41 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 60' ' ' GLU . . . 171.05 -141.81 6.7 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.604 HG23 ' HA ' ' A' ' 2' ' ' ARG . 22.9 p -138.29 126.35 22.75 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.197 0.522 . . . . 0.0 110.433 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.691 HG23 HG12 ' A' ' 57' ' ' VAL . 7.9 p -84.34 137.02 21.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.522 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.32 -58.28 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.788 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 36.6 m -124.88 110.93 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -177.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.811 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 50.0 m-80 -85.91 90.99 8.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.096 0.474 . . . . 0.0 110.592 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.5 tp -93.58 54.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.508 0.67 . . . . 0.0 110.258 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.46 ' OG ' ' HD3' ' A' ' 55' ' ' LYS . 60.7 m -105.08 109.92 22.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.719 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.69 177.032 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 51.32 34.8 12.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 111.676 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -146.94 112.53 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 6.3 tt -154.01 146.24 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.134 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.36 93.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 57' ' ' VAL . 89.9 mt -77.88 0.75 22.85 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.9 m -94.23 -3.61 50.43 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.211 -0.305 . . . . 0.0 111.566 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 74.6 mt -72.15 144.89 48.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 111.472 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -17.37 64.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 0.0 110.366 171.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -68.89 -22.46 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.416 0.627 . . . . 0.0 109.485 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 8.2 mm-40 -89.01 -15.98 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.889 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.88 5.31 35.81 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.326 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -81.51 144.21 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.102 0.477 . . . . 0.0 110.813 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.02 138.48 51.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.309 -175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.1 125.96 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 109.956 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.655 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.8 tt -124.58 114.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.835 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 16' ' ' ILE . 87.0 mt 73.97 131.85 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.52 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.56 146.4 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -66.01 -35.88 81.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 m -127.85 147.48 50.45 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -144.27 106.04 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 0.0 110.097 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -104.26 150.6 24.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.26 -13.58 32.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.05 0.452 . . . . 0.0 110.584 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -89.59 -36.2 15.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -116.97 84.63 16.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.315 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 14.1 Cg_exo -66.92 127.44 16.94 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.442 2.095 . . . . 0.0 111.893 -175.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.448 ' O ' HG22 ' A' ' 30' ' ' ILE . 51.4 Cg_exo -56.17 -29.92 77.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.929 2.42 . . . . 0.0 111.86 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.55 -17.97 57.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.382 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -84.81 -3.49 58.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.637 0.256 . . . . 0.0 110.889 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 31' ' ' ILE . 10.7 tt -70.41 -27.7 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.249 0.547 . . . . 0.0 109.873 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 30' ' ' ILE . 15.1 pt -102.34 6.43 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.854 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.94 -57.84 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.24 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.27 -8.39 35.45 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.063 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.6 m-80 -83.59 131.46 52.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.787 0.794 . . . . 0.0 110.756 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 3.7 Cg_exo -78.47 13.77 1.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.813 2.342 . . . . 0.0 112.875 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.53 -40.21 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.242 0.544 . . . . 0.0 110.0 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -151.1 119.27 6.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.669 175.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 30.1 p90 -112.6 164.66 13.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.5 144.24 28.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.325 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 t -147.04 141.66 26.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.508 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 43' ' ' GLY . 27.5 m -78.61 138.39 38.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.286 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -85.54 6.3 27.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.723 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.727 ' H ' HG22 ' A' ' 41' ' ' THR . . . 104.8 47.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.854 172.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 51.5 ttp -123.47 117.62 25.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 117.211 0.505 . . . . 0.0 109.807 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -106.5 141.06 22.0 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.985 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.4 165.48 80.41 Favored 'Cis proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.581 -1.425 . . . . 0.0 112.275 -0.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.636 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 57.2 mt-30 -106.99 111.51 24.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.68 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.165 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.1 149.12 28.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.741 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 16' ' ' ILE . 42.8 mt -118.99 143.67 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.035 0.445 . . . . 0.0 110.837 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.15 118.66 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 t -102.78 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.6 m-85 -71.28 -20.19 62.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.792 -176.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.44 12.57 6.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.377 0.423 . . . . 0.0 110.694 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -161.23 154.99 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.087 -168.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -88.03 115.79 25.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.693 ' HB ' HD13 ' A' ' 6' ' ' LEU . 15.9 m -125.41 141.72 44.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.233 0.54 . . . . 0.0 111.628 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.63 ' HG2' HG22 ' A' ' 138' ' ' VAL . 15.5 mmm-85 -84.3 108.12 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.739 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -95.5 117.38 39.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 O-C-N 123.657 0.598 . . . . 0.0 109.788 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -124.6 4.64 8.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 0.0 109.609 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 16.2 tpp85 -158.34 136.19 10.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.649 -177.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.574 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 88.8 mt -123.64 115.31 21.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.87 102.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 35.2 mm -100.22 105.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.27 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -108.55 105.48 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 p -140.42 165.68 26.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.861 0.363 . . . . 0.0 111.838 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.21 128.6 56.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.186 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 69.32 -93.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.785 0.678 . . . . 0.0 111.687 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.886 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.7 t 52.65 -158.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 O-C-N 123.363 0.415 . . . . 0.0 109.917 -176.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.886 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.9 tt0 177.53 -72.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.262 0.625 . . . . 0.0 109.745 175.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 m -110.41 100.07 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 118' ' ' ILE . 38.4 tp -118.34 113.58 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.715 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -100.94 123.26 44.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.983 0.421 . . . . 0.0 110.157 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.672 HD12 HG13 ' A' ' 89' ' ' ILE . 66.4 mt -93.11 118.53 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.975 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.795 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 14.3 tt0 -105.43 133.84 49.53 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 88' ' ' TRP . 22.2 ptmt -112.81 144.33 42.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.759 0.314 . . . . 0.0 111.303 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.5 t -143.02 136.87 28.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 111' ' ' ALA . 0.8 OUTLIER -132.05 24.15 4.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.977 177.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -92.83 14.23 18.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.861 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 71.81 -49.29 0.69 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.172 0.589 . . . . 0.0 111.029 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -86.31 158.68 54.71 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.75 56.35 2.89 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.829 2.353 . . . . 0.0 111.745 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.92 172.97 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.25 52.47 12.03 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.081 0.863 . . . . 0.0 112.509 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.774 ' HB2' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -93.5 128.61 39.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.01 174.145 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -123.16 157.9 31.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.163 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.01 125.27 23.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.113 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 76' ' ' LYS . 9.7 t90 -100.75 -74.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.672 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -141.76 105.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.309 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' LYS . 9.0 pt-20 -96.28 134.91 38.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.082 0.468 . . . . 0.0 110.06 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -128.36 141.52 51.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.655 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.8 p-10 -94.89 127.97 41.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 170.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.65 162.25 13.07 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.511 ' HB ' ' NE2' ' A' ' 101' ' ' GLN . 46.4 t -97.23 139.56 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.063 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.96 105.69 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.804 0.335 . . . . 0.0 110.487 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.6 p -96.51 140.89 30.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.296 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -103.86 103.69 13.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.713 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.04 13.49 76.05 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.625 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.542 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.8 mm100 -121.45 144.8 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.906 0.384 . . . . 0.0 111.048 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 129' ' ' HIS . 6.9 mt -80.09 127.51 32.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.511 ' NE2' ' HB ' ' A' ' 94' ' ' VAL . 4.9 mm-40 -85.37 94.13 8.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 84.9 m-20 -102.03 104.79 15.47 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.58 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.0 112.55 25.58 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.979 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.59 85.61 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 62.2 mt -79.99 125.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.627 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.07 86.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.49 118.09 35.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.311 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -99.07 104.68 16.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.017 0.437 . . . . 0.0 109.901 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.21 -172.17 34.1 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.867 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 m -143.3 136.7 28.22 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.639 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -148.92 147.94 29.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 15.8 p -100.78 -25.16 14.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.805 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 63.3 m-85 -132.69 127.2 34.29 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.106 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.2 mt -114.97 116.3 28.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.795 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 62.6 ttt180 -106.62 106.78 17.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.769 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -89.75 115.22 26.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.715 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 68.8 mt -114.16 102.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.438 0.637 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 58.5 mt -86.82 101.12 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.038 174.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.7 t -68.22 -42.82 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.373 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 p -154.98 163.16 40.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -139.29 162.54 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -67.13 -31.56 72.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 110.468 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.46 168.15 9.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.002 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.33 -22.43 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.016 0.436 . . . . 0.0 110.41 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -115.92 148.33 40.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.88 139.86 43.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.239 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -127.42 142.85 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.4 p -114.6 138.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.474 ' HB2' HD21 ' A' ' 100' ' ' LEU . 10.7 t60 -96.01 -55.84 2.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 m -158.54 125.65 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.116 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.26 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.368 0.604 . . . . 0.0 109.972 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.7 m -109.26 148.33 31.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.843 -172.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.67 123.81 51.13 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 27.5 mt-10 -107.18 150.73 26.3 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.161 0.505 . . . . 0.0 110.855 -176.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 154.3 -130.92 3.03 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 163.0 39.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.063 0.432 . . . . 0.0 111.37 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -84.49 132.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.759 0.314 . . . . 0.0 111.228 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.63 HG22 ' HG2' ' A' ' 58' ' ' ARG . 40.9 t -89.84 -71.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 p -143.05 147.27 34.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.42 152.01 21.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.686 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.7 mp -93.85 46.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 m -58.31 -38.0 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.096 -173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.532 -178.854 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 136' ' ' THR . 48.0 ttt180 -88.9 154.81 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.95 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 51.3 mttm 70.46 89.43 0.1 Allowed 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.771 0.796 . . . . 0.0 110.926 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tt -138.59 145.41 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.657 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.28 102.78 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 110.314 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 57' ' ' VAL . 30.7 mt -83.77 4.83 27.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.052 -174.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.23 -5.61 46.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.53 133.09 46.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.949 0.404 . . . . 0.0 111.338 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 31' ' ' ILE . 54.8 p -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.202 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -78.64 -17.65 55.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.812 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -87.01 -9.48 55.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.512 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.58 35.27 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.286 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 135.27 41.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.033 0.444 . . . . 0.0 110.23 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -137.93 134.47 35.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.937 -173.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 27' ' ' PRO . 15.3 m -84.27 130.44 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.278 0.561 . . . . 0.0 110.674 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.8 tt -130.67 133.08 63.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 62.14 80.11 0.24 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.656 0.741 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.47 143.91 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.053 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -68.76 -38.33 80.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.812 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -167.35 169.63 12.19 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 34.4 t -172.6 159.77 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.893 ' HB2' ' HB2' ' A' ' 25' ' ' HIS . 7.3 m-20 -92.19 161.96 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 24' ' ' LYS . 8.1 pt-20 -76.37 -36.54 58.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.868 0.366 . . . . 0.0 110.54 177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 63.7 mttp -99.79 -0.5 39.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.447 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.893 ' HB2' ' HB2' ' A' ' 22' ' ' ASP . 28.5 m80 -129.27 72.48 81.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 98.4 Cg_endo -93.18 162.59 2.54 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.952 2.434 . . . . 0.0 113.187 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.797 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.2 Cg_exo -66.71 -12.38 35.67 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.904 2.402 . . . . 0.0 111.119 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -56.57 -31.01 63.8 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.515 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 29.1 t-20 -69.88 -30.81 68.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.8 -35.23 72.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.181 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 9' ' ' SER . 31.0 pt -98.79 6.59 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.596 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 19.0 t70 -101.26 -67.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.86 27.17 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.585 -0.817 . . . . 0.0 114.246 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 49.5 t30 -84.32 116.75 66.49 Favored Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 117.724 0.762 . . . . 0.0 110.588 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 24.6 Cg_exo -63.64 -14.14 40.9 Favored 'Trans proline' 0 N--CA 1.477 0.551 0 C-N-CA 123.667 2.911 . . . . 0.0 114.26 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.35 -27.71 69.2 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' ND2' ' A' ' 29' ' ' ASN . 9.2 t -138.53 163.82 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.4 p90 -154.2 169.48 23.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.29 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 128' ' ' VAL . 82.1 t90 -94.43 113.53 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 0.0 109.64 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t -103.42 146.32 28.67 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.1 p -76.67 125.62 29.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.96 11.02 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.885 0.374 . . . . 0.0 111.716 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.14 14.61 51.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.993 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.519 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 25.6 mmt -94.22 88.82 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.757 -0.261 . . . . 0.0 110.549 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.85 132.64 20.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.968 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.62 163.58 74.06 Favored 'Cis proline' 0 C--O 1.234 0.314 0 C-N-CA 123.256 -1.56 . . . . 0.0 112.347 -1.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' MET . 14.6 pt20 -134.71 149.82 50.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -135.82 150.35 49.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.262 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -148.9 133.04 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.496 HG12 ' HG3' ' A' ' 115' ' ' ARG . 58.0 mt -105.93 134.83 46.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.913 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.36 114.77 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.448 . . . . 0.0 109.918 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 t -93.89 112.04 23.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.9 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 90.9 m-85 -71.95 -19.17 61.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.023 0.44 . . . . 0.0 109.887 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 67.59 -2.51 1.32 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.326 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.611 ' HB3' HD22 ' A' ' 141' ' ' LEU . 59.3 pttt -147.68 176.71 9.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.586 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 51.3 m-70 -95.61 115.51 27.54 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.3 m -117.5 140.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.25 0.548 . . . . 0.0 111.177 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 58' ' ' ARG . 38.9 ttm180 -96.64 108.39 20.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.254 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 70.7 mt -92.24 126.86 44.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.39 -44.43 7.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.629 ' HG2' ' HA ' ' A' ' 106' ' ' VAL . 82.7 mtm180 -144.01 151.26 39.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.4 mp -109.89 108.97 19.44 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.2 t -91.34 98.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 131' ' ' VAL . 45.9 mt -105.92 119.56 55.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.37 102.21 12.14 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.438 ' HB3' HG23 ' A' ' 128' ' ' VAL . 36.2 p -149.56 143.22 25.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.571 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -128.11 145.06 51.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.41 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 38.6 m-85 74.74 2.31 4.01 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.02 0.825 . . . . 0.0 112.209 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 32.1 t -76.69 144.22 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 3.9 tm0? -113.2 -88.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.901 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.9 m -86.98 106.56 17.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.026 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.527 HD11 ' HD1' ' A' ' 116' ' ' PHE . 27.0 tp -114.77 114.59 25.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.634 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 86.2 tttt -95.94 115.67 27.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.495 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 89' ' ' ILE . 52.5 mt -93.45 99.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 20.0 tt0 -96.78 136.65 37.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.477 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . 27.4 ttmt -106.59 138.76 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.818 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 33.1 m -136.1 128.57 30.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.01 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 111' ' ' ALA . 44.0 p -109.22 12.67 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.365 0.602 . . . . 0.0 110.49 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -85.53 171.39 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.907 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -76.99 -28.92 55.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 83' ' ' VAL . 11.2 mm-40 -100.8 161.03 25.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.593 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 44.67 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.427 2.084 . . . . 0.0 112.353 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.8 m -129.79 179.75 3.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.485 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 64.91 87.53 0.11 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -103.7 133.8 48.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.777 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.607 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 10.4 pt-20 -124.61 142.5 51.32 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 170.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.74 98.18 10.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.976 0.417 . . . . 0.0 110.471 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -75.46 -73.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.395 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 105' ' ' ILE . 1.1 pt -147.82 107.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.162 0.506 . . . . 0.0 111.831 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -91.97 113.4 25.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -123.92 129.25 50.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 110.415 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 13.6 p-10 -95.16 131.94 40.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.092 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 30.8 tp -80.65 148.24 30.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.454 -177.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.09 168.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -106.82 121.08 43.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.892 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 13.5 p -131.65 111.39 11.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 173.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -68.59 111.98 5.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.069 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.48 3.3 66.01 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.554 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.892 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 84.6 mm-40 -109.22 115.44 30.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.6 97.92 9.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 101' ' ' GLN . 17.8 mm-40 -95.84 116.22 28.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 178.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.48 135.65 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 105' ' ' ILE . 14.7 tp10 -97.37 101.94 13.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.239 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -96.56 100.35 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 89' ' ' ILE . 77.2 mt -91.62 104.96 16.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.629 ' HA ' ' HG2' ' A' ' 61' ' ' ARG . 4.0 p -78.32 98.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.944 0.878 . . . . 0.0 110.414 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.74 121.76 14.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.704 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 96.4 m-70 -99.11 114.32 26.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.361 . . . . 0.0 110.533 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.61 178.26 34.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.356 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -138.26 123.66 19.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -144.85 164.53 30.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.929 0.395 . . . . 0.0 111.311 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.7 p -110.37 -29.28 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.677 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.818 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 50.8 m-85 -127.84 131.14 49.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.494 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.558 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 33.1 mt -114.77 123.62 49.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 171.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 66.4 ttt180 -106.48 100.14 9.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.873 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.527 ' HD1' HD11 ' A' ' 72' ' ' LEU . 57.1 m-85 -88.51 109.6 20.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.145 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 64.0 mt -106.81 115.01 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.442 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.5 mt -98.36 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.57 -43.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.957 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -143.96 159.97 41.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -140.16 170.37 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.871 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -74.33 -20.29 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.461 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.59 174.23 10.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -79.71 -16.76 55.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.005 0.431 . . . . 0.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -117.03 122.32 43.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.001 0.429 . . . . 0.0 110.367 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.24 171.15 8.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.737 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -145.25 127.9 16.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.392 . . . . 0.0 111.019 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 39' ' ' TRP . 13.5 p -120.23 127.64 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 171.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 10.7 t-80 -97.02 -41.55 8.32 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.885 -176.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.8 t -164.09 129.01 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.849 0.357 . . . . 0.0 110.654 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 64' ' ' ILE . 10.2 m -109.76 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 m -90.75 137.9 32.0 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.22 108.93 20.71 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.43 ' OE2' ' HG2' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -97.76 121.48 39.72 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.094 0.473 . . . . 0.0 110.016 -176.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.22 1.01 Allowed Glycine 0 N--CA 1.438 -1.212 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 2' ' ' ARG . 16.7 p -146.41 145.88 30.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.5 m -76.96 105.35 5.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.271 0.557 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.47 -34.27 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.539 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 45.5 m -155.52 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 90.9 m-20 -78.78 -164.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 55' ' ' LYS . 4.5 mm? -66.76 -36.58 82.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.5 m -154.09 -49.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.443 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.188 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 42.2 ttm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 1' ' ' MET . 42.9 ttm105 68.79 124.56 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -168.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 64.1 tttp 63.0 35.54 13.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 122.58 1.181 . . . . 0.0 107.892 -168.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.6 tt -95.29 138.22 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 -177.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -71.09 111.81 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.022 0.439 . . . . 0.0 109.824 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.727 HD13 ' HB ' ' A' ' 57' ' ' VAL . 13.5 mt -98.83 0.89 45.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.151 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.05 -3.98 50.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.78 0.324 . . . . 0.0 111.563 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 140.68 58.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.995 0.426 . . . . 0.0 111.062 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -78.76 -19.17 52.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.259 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -82.68 -10.58 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.357 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.94 3.49 42.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 m -83.78 138.83 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.975 0.417 . . . . 0.0 111.207 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -126.45 179.41 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.134 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.47 149.73 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.77 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.486 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.6 tt -141.12 156.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.653 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.9 tt 73.2 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.734 0.813 . . . . 0.0 110.364 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 55.45 92.99 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.584 0.552 . . . . 0.0 112.149 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -61.05 -53.37 58.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.67 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -84.79 81.21 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -102.94 120.15 40.11 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -97.77 141.84 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -94.29 -5.81 45.87 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.843 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.17 -31.85 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.319 0.58 . . . . 0.0 109.469 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -120.86 86.35 41.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 Cg_exo -73.61 156.02 49.54 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.003 2.468 . . . . 0.0 112.969 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 48.8 Cg_exo -59.11 -13.96 21.59 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.784 2.99 . . . . 0.0 113.676 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.58 -20.89 61.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.135 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.571 ' OD1' ' HB ' ' A' ' 37' ' ' THR . 0.9 OUTLIER -78.94 1.66 22.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.333 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.95 -30.83 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.236 0.541 . . . . 0.0 110.07 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.796 HG13 ' H ' ' A' ' 32' ' ' ASP . 5.6 pt -118.9 -86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.98 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.796 ' H ' HG13 ' A' ' 31' ' ' ILE . 22.8 t70 68.7 -51.16 0.57 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.747 0.819 . . . . 0.0 112.884 175.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.62 -0.52 32.38 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -174.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 48.9 t30 -143.46 113.84 5.62 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 7.3 Cg_exo -74.59 19.19 0.47 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.051 2.501 . . . . 0.0 114.148 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -71.87 -46.05 59.24 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.001 -0.437 . . . . 0.0 109.99 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.571 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 23.6 p -91.47 153.31 19.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -154.05 154.18 33.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.185 0.516 . . . . 0.0 111.661 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -95.65 125.53 40.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.466 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -114.03 159.21 20.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.097 0.475 . . . . 0.0 110.753 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.521 ' HB ' ' H ' ' A' ' 126' ' ' ALA . 15.9 m -94.61 123.95 38.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.913 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 27.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.678 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 124' ' ' HIS . . . 88.06 -11.78 66.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.414 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.0 ttt -86.46 103.87 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.976 0.417 . . . . 0.0 111.763 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.44 150.89 40.06 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.604 171.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.877 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 4.4 Cg_exo -78.22 161.07 91.11 Favored 'Cis proline' 0 C--N 1.343 0.262 0 C-N-CA 123.716 -1.368 . . . . 0.0 112.234 -1.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 4.3 pt20 -118.95 126.85 52.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.602 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.498 ' HG2' HG23 ' A' ' 117' ' ' ILE . 28.8 mt-10 -118.71 133.46 55.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.636 -177.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -145.81 142.78 29.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.486 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.2 mt -114.71 135.28 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.026 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -105.88 126.63 61.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.7 t -102.15 114.17 28.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.119 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.437 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.6 m-85 -78.49 -16.6 57.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.087 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 12.8 m-70 69.35 -5.62 1.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.01 0.524 . . . . 0.0 111.669 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.62 166.91 29.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.312 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -82.65 124.13 29.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.727 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.1 m -130.45 141.66 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.063 0.459 . . . . 0.0 111.459 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.2 ttm180 -89.42 114.78 26.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -98.2 126.31 51.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 23.7 tt0 -107.68 -36.87 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 87.5 mtt180 -137.89 142.55 40.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 111.015 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.9 mp -110.03 111.76 23.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 53.0 t -91.0 98.72 8.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 62' ' ' LEU . 11.1 mm -102.21 112.59 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.05 -174.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -107.56 102.22 11.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 109.993 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -151.11 176.58 11.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.533 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HD2' ' HG ' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -141.26 153.96 45.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 45.6 m-85 77.14 -25.9 0.19 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.689 0.796 . . . . 0.0 112.632 172.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 HG23 ' A' ' 118' ' ' ILE . 48.5 t -53.84 146.04 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.95 0.5 . . . . 0.0 111.793 -178.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -120.23 -63.65 1.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.482 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -108.88 115.73 30.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.731 HD11 ' HD2' ' A' ' 116' ' ' PHE . 19.8 tp -116.25 108.47 16.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.351 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 35.0 tttp -89.79 124.43 34.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.553 -176.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 HG13 ' A' ' 89' ' ' ILE . 20.3 mt -122.18 108.76 22.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.381 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' A' ' 87' ' ' GLN . 2.6 mp0 -102.26 150.5 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.9 ptpp? -107.06 141.17 38.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 52.9 m -135.1 127.3 30.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.6 p -105.53 -3.68 22.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.901 0.381 . . . . 0.0 111.271 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 m -76.96 163.56 26.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -84.4 -16.49 42.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -78.96 149.86 74.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.25 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.14 38.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 26.4 m -136.69 -173.95 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.9 t0 64.15 80.45 0.23 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.128 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 83' ' ' VAL . 96.9 m-85 -106.71 100.56 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.22 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -88.86 111.6 22.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.732 178.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.722 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 10.3 tt0 -50.72 114.36 1.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -175.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -92.96 -72.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.382 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.583 HG13 HD12 ' A' ' 74' ' ' ILE . 1.8 pt -141.8 114.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.434 0.635 . . . . 0.0 111.917 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -78.96 96.07 5.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HG2' HD13 ' A' ' 105' ' ' ILE . 28.6 tptp -100.16 143.01 30.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.235 0.541 . . . . 0.0 111.43 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.05 141.23 32.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.537 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.507 HD13 ' HB ' ' A' ' 69' ' ' VAL . 6.5 tt -126.23 146.22 50.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 93' ' ' LEU . 44.3 t -119.15 142.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.618 -174.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -71.58 92.0 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 4.3 p -78.56 131.54 36.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.34 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -83.46 127.92 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.418 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.98 17.73 59.06 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.619 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.547 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 21.9 tt0 -140.59 127.96 21.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.859 0.362 . . . . 0.0 110.72 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.573 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 2.8 tt -89.52 115.97 27.33 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 171.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -73.14 89.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.213 0.53 . . . . 0.0 111.591 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.93 95.3 10.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -110.46 122.91 48.88 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.22 -175.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.93 102.02 11.42 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 80.4 mt -79.66 106.47 10.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.17 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -76.3 91.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.508 0.67 . . . . 0.0 110.345 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.08 120.54 26.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.64 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -98.98 113.71 26.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.89 -176.28 36.43 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.101 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -131.59 137.97 48.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.76 165.33 34.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.299 0.571 . . . . 0.0 111.847 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 m -121.25 -33.46 3.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.719 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 40.6 m-85 -129.89 146.9 51.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.389 173.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 52.0 mt -129.98 130.04 44.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 117' ' ' ILE . 7.8 ttm180 -106.42 115.38 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.731 ' HD2' HD11 ' A' ' 72' ' ' LEU . 75.3 m-85 -98.35 113.57 25.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.151 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.1 mt -110.94 101.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.106 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.618 HG23 HG13 ' A' ' 69' ' ' VAL . 59.6 mt -82.58 97.17 4.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 174.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.877 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.0 t -72.17 -57.4 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.053 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -134.83 156.34 49.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.054 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.05 161.15 38.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.16 -18.51 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.27 0.557 . . . . 0.0 110.159 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 68' ' ' PHE . 4.4 m-20 -124.24 168.66 12.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.786 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.53 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 64.8 t60 -91.08 10.4 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.969 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -149.91 155.39 39.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.521 ' H ' ' HB ' ' A' ' 41' ' ' THR . . . -149.08 158.6 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.2 t -143.15 131.49 22.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.332 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.51 138.15 26.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.3 -23.69 8.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.828 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.2 p -171.11 142.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.994 0.426 . . . . 0.0 110.834 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.01 128.94 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.855 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 59.7 m -128.0 148.56 50.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.099 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -125.55 102.53 7.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 94.6 mt-10 -94.54 118.9 32.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.238 0.542 . . . . 0.0 111.23 -175.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -170.3 -127.19 0.92 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.3 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.429 ' OG1' ' HD2' ' A' ' 58' ' ' ARG . 12.0 p -140.68 141.33 35.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.726 0.298 . . . . 0.0 110.207 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.5 127.75 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.665 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.25 -56.56 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 59.6 p -99.63 111.94 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.404 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -76.93 88.87 3.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 110.916 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 59.9 tp -87.74 91.68 8.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.096 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.7 t -124.91 9.75 8.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.594 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.182 -177.309 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.607 0.242 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -128.14 176.97 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp 62.57 51.95 3.05 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.6 tt -95.3 140.04 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.336 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.37 91.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.0 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 24.2 mt -82.12 5.08 20.75 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -170.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.5 m -94.48 -3.26 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.4 150.89 31.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.838 -174.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -67.54 -22.02 65.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.751 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -64.29 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.606 174.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -84.9 2.03 44.54 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.129 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 8.05 84.01 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 m -78.07 146.11 35.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.075 0.464 . . . . 0.0 110.181 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 31' ' ' ILE . 42.0 tt0 -146.19 142.4 28.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.252 -171.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -86.96 135.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.144 0.497 . . . . 0.0 110.619 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.1 tt -137.56 139.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.281 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 tt 61.99 84.4 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.353 0.597 . . . . 0.0 110.331 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.93 121.28 42.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -54.47 -52.5 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.536 -175.273 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -132.26 118.91 20.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.543 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -117.91 118.25 31.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.008 0.433 . . . . 0.0 110.186 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.207 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.25 -16.31 56.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.329 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -101.45 -15.05 17.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.43 0.634 . . . . 0.0 109.518 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -133.88 74.12 69.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.385 -0.825 . . . . 0.0 108.987 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 Cg_endo -83.71 135.5 6.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.046 2.498 . . . . 0.0 113.155 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 20.2 Cg_exo -66.77 -12.35 35.61 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.228 2.619 . . . . 0.0 111.705 177.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.49 -26.76 68.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.995 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.544 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 16.7 t-20 -64.88 -25.73 68.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.458 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.25 -42.26 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.469 -177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 14' ' ' GLU . 36.6 pt -91.72 -1.33 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.491 0.662 . . . . 0.0 110.401 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 29.6 t70 -87.46 -48.55 7.86 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.986 -176.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.54 66.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.991 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -89.28 118.11 68.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 117.678 0.739 . . . . 0.0 110.385 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.18 2.95 3.28 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.999 2.466 . . . . 0.0 112.717 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.54 -23.65 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -132.68 166.59 21.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.324 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -153.07 151.19 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.4 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.5 t90 -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 140.36 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.691 HG21 ' HG2' ' A' ' 47' ' ' GLN . 80.4 p -78.17 116.35 18.56 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 45.8 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -171.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.51 33.77 46.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.31 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.7 tpt -113.31 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.588 0.232 . . . . 0.0 110.541 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.95 136.43 19.45 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.62 173.51 39.85 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.2 -1.583 . . . . 0.0 111.979 -2.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.705 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 0.7 OUTLIER -107.5 150.31 26.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -176.011 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -164.37 119.67 1.49 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.144 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 44.2 p90 -134.83 145.71 48.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.226 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.5 mt -114.57 128.63 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 -175.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.4 mt -110.49 113.59 44.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 17.9 p -98.88 137.75 36.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.492 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 55' ' ' LYS . 79.9 m-85 -83.35 -14.03 53.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 4.3 m-70 70.76 -17.18 0.3 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.836 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 53' ' ' PHE . 25.8 pttm -136.77 161.98 34.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 139' ' ' SER . 22.0 t-80 -82.74 105.71 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.36 169.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.536 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.4 120.7 37.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.628 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 91.6 mt -89.64 135.32 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.791 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -101.65 -35.73 9.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.787 0.327 . . . . 0.0 110.139 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -161.73 159.96 27.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.143 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -110.17 134.1 52.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.995 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.49 106.85 21.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 HG12 ' A' ' 131' ' ' VAL . 26.5 mt -115.82 142.17 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.263 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -126.77 102.11 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -135.13 154.78 51.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 0.2 OUTLIER -129.32 140.44 51.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.921 0.391 . . . . 0.0 111.195 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 68.64 30.26 5.09 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.518 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.647 ' HB ' HD22 ' A' ' 93' ' ' LEU . 63.9 t -100.43 135.21 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 76.8 mt-30 -95.49 -85.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 110.313 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -97.83 115.63 28.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.073 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.72 109.32 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.677 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 48.2 tttp -92.0 129.68 37.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.639 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 89' ' ' ILE . 45.0 mt -114.91 108.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.111 0.481 . . . . 0.0 111.238 -176.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.79 141.79 28.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.4 175.507 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.3 ptmm? -118.08 119.02 33.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.001 0.429 . . . . 0.0 110.296 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 1.027 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 71.1 m -101.79 131.63 47.99 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -107.41 10.79 29.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.301 0.572 . . . . 0.0 110.738 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 p -92.5 163.01 13.98 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.105 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 80' ' ' LYS . 30.9 mtmt -69.28 -30.3 68.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.525 0.679 . . . . 0.0 109.637 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 83' ' ' VAL . 33.6 mt-10 -93.06 154.26 41.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.265 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.7 45.7 1.84 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.019 2.479 . . . . 0.0 112.057 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.3 m -122.13 -162.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.08 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 83' ' ' VAL . 16.2 t70 73.68 -74.78 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.784 0.677 . . . . 0.0 111.528 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.709 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 56.4 m-85 59.58 90.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.595 0.559 . . . . 0.0 111.583 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -82.24 125.27 30.75 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.25 107.74 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.526 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 9.4 t90 -102.3 -79.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -173.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.521 HG13 HD12 ' A' ' 74' ' ' ILE . 2.5 pt -140.27 143.68 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -175.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.469 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 56.1 mt-10 -124.82 119.61 29.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -115.43 140.16 49.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.072 0.463 . . . . 0.0 111.138 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 7.5 p-10 -110.6 119.91 40.7 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.053 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.647 HD22 ' HB ' ' A' ' 69' ' ' VAL . 7.6 mp -86.97 171.83 10.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.135 -173.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.14 154.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.883 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.5 100.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.432 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -90.36 117.74 29.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.491 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -102.08 100.9 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.352 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 38.81 86.0 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.377 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -137.12 141.2 42.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.51 0.195 . . . . 0.0 110.799 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.17 97.17 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -88.01 148.8 24.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -109.52 117.34 33.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.03 93.33 8.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.73 84.84 7.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.452 0.644 . . . . 0.0 109.5 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 82.7 mt -86.33 107.22 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.978 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.9 t -76.86 95.31 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.31 0.576 . . . . 0.0 109.814 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.95 103.2 3.73 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.626 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.628 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.5 p80 -105.0 116.98 32.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.446 0.641 . . . . 0.0 111.734 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 161.86 35.68 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.961 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -91.51 141.66 28.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 117.086 0.443 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.06 159.09 35.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 p -115.68 -26.59 7.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.528 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 1.027 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 34.2 m-85 -130.43 133.32 46.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.177 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.8 120.89 41.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 68.9 ttt180 -106.49 110.79 23.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.228 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -97.63 106.62 18.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 65.3 mt -101.4 106.91 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 31.8 mt -89.14 101.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 35.2 t -76.64 -34.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -175.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -152.0 156.7 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.913 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.82 157.07 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -71.05 -28.12 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 110.204 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.36 -172.3 2.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -91.51 1.35 57.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.286 0.565 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.83 129.34 19.06 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.929 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -100.39 127.63 46.67 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.531 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 19.4 m -122.31 113.92 20.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.982 0.42 . . . . 0.0 110.836 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.4 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.2 p -87.62 135.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -104.29 -49.12 3.66 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.944 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -143.84 135.58 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.554 HG12 HG23 ' A' ' 64' ' ' ILE . 25.8 m -133.47 137.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.5 m -147.74 132.9 18.33 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.01 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.4 110.24 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -94.3 112.81 24.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.183 0.516 . . . . 0.0 110.166 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -158.52 -136.64 2.1 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.308 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.6 p -139.31 146.39 40.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 m -79.1 137.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 41.3 t -116.21 -69.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.93 0.395 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.697 ' HB2' ' HB3' ' A' ' 56' ' ' HIS . 1.6 m -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.64 131.65 44.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.043 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 141' ' ' LEU . 2.4 pt? -121.63 -6.7 9.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 p -87.79 -0.41 56.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.741 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.455 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 89.3 mtt180 -93.98 147.53 23.03 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 2' ' ' ARG . 20.6 tptt 69.64 106.75 0.06 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.947 0.879 . . . . 0.0 109.454 -166.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 tt -150.33 145.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.454 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.73 91.38 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.529 0.68 . . . . 0.0 110.086 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.2 mt -73.87 -16.23 61.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.044 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 94.4 m -86.38 -3.67 59.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.83 145.73 53.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 t -67.34 -20.4 65.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 -19.99 65.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.097 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.22 -0.15 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.845 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.79 13.25 65.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.548 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 m -94.51 138.01 32.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.564 ' HA ' HD13 ' A' ' 31' ' ' ILE . 36.9 mt-10 -133.64 167.12 21.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.217 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG12 HG12 ' A' ' 51' ' ' ILE . 18.7 m -102.55 155.69 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.754 0.312 . . . . 0.0 110.428 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.845 HG12 HD12 ' A' ' 17' ' ' LEU . 13.9 tt -144.23 155.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 16' ' ' ILE . 8.4 mp 69.33 -94.7 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.465 0.706 . . . . 0.0 110.941 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.98 116.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.867 0.729 . . . . 0.0 111.828 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.7 p -80.33 18.66 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.724 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 32.3 t -164.49 133.71 3.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 110.389 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 m -153.09 113.46 4.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.01 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.15 148.76 21.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.5 -29.45 70.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 111.391 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 25.7 mtpp -105.19 -30.32 9.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.596 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -115.21 81.12 7.82 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.005 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' LYS . 52.6 Cg_endo -93.14 166.87 2.44 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.124 2.549 . . . . 0.0 112.434 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.38 -9.82 11.8 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.128 2.552 . . . . 0.0 113.265 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.93 -36.93 60.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.933 0.397 . . . . 0.0 110.641 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 2.01 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.034 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.7 mt -79.48 -34.37 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.619 HG13 ' H ' ' A' ' 32' ' ' ASP . 11.4 pt -109.25 -104.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.897 175.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 31' ' ' ILE . 47.2 t0 69.09 -53.85 0.58 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.503 0.721 . . . . 0.0 112.18 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.48 13.3 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -172.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 75.3 m-20 -126.89 112.56 22.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.367 . . . . 0.0 110.773 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 2.7 Cg_endo -82.74 19.71 1.26 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.685 2.923 . . . . 0.0 112.382 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.77 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.813 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.4 m -91.46 -169.39 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.34 -170.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.813 ' H ' HG22 ' A' ' 37' ' ' THR . 43.0 p90 -153.49 157.86 40.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.673 ' HE3' HG12 ' A' ' 128' ' ' VAL . 66.8 t90 -110.53 137.54 48.08 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -121.99 148.43 44.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.016 0.436 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.653 HG21 ' HB3' ' A' ' 47' ' ' GLN . 3.0 m -91.97 159.58 15.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.773 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 p -76.75 1.75 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.86 12.63 68.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.784 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 70.1 mtm -92.27 101.61 14.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.649 -0.324 . . . . 0.0 110.571 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 120' ' ' SER . 86.7 m-85 -78.67 141.5 60.23 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.62 151.17 88.53 Favored 'Cis proline' 0 C--N 1.344 0.322 0 C-N-CA 123.579 -1.425 . . . . 0.0 111.887 -3.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.653 ' HB3' HG21 ' A' ' 41' ' ' THR . 33.7 mt-30 -106.91 115.6 30.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.89 152.7 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.487 0.661 . . . . 0.0 112.608 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -157.15 155.01 30.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.015 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.775 HG12 ' HG3' ' A' ' 115' ' ' ARG . 49.3 mt -120.49 141.71 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.463 HG12 HG12 ' A' ' 15' ' ' VAL . 46.8 mt -113.56 126.72 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.446 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 9.3 p -107.59 122.71 47.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.1 m-85 -81.06 -18.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.713 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 67.0 9.04 6.59 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.995 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HG3' HG13 ' A' ' 57' ' ' VAL . 48.6 pttt -158.89 157.42 31.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.996 -176.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -85.52 105.64 16.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 55' ' ' LYS . 17.9 m -112.55 162.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.109 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 38.7 ttm180 -105.5 112.75 25.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.768 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.408 HG21 ' HH2' ' A' ' 88' ' ' TRP . 87.3 mt -93.76 126.8 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.755 0.312 . . . . 0.0 110.924 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -107.88 -28.86 9.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.823 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 50.4 mtm180 -149.85 150.87 32.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.712 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.0 mp -120.36 107.57 13.09 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 132' ' ' SER . 61.8 t -90.72 101.07 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mt -111.84 132.78 59.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.34 0.59 . . . . 0.0 111.335 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 130' ' ' SER . 51.5 mt-30 -113.98 102.29 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.037 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -144.29 155.1 43.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.923 0.392 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -116.03 152.33 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.964 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 45.4 m-85 75.99 -31.46 0.2 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.09 0.869 . . . . 0.0 113.198 169.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 118' ' ' ILE . 58.7 t -53.09 135.72 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 122.685 0.394 . . . . 0.0 112.006 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 52.9 tt0 -115.91 -78.25 0.58 Allowed 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 175.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -90.45 101.31 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.365 0.602 . . . . 0.0 111.237 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.6 tp -108.68 110.15 21.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.468 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE2' ' OE1' ' A' ' 87' ' ' GLN . 12.3 tttt -96.37 115.84 28.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.722 HD12 HG13 ' A' ' 89' ' ' ILE . 22.6 mt -96.85 111.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.441 . . . . 0.0 110.876 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.746 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 1.4 tp10 -95.94 150.74 20.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.2 ptmm? -127.13 140.16 52.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.086 0.47 . . . . 0.0 110.754 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.786 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 63.1 m -127.17 137.0 52.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.97 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 p -114.96 15.29 17.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.414 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 t -94.12 178.7 5.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.445 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -80.62 -20.92 42.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.652 0.739 . . . . 0.0 109.557 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.691 ' HB2' HG22 ' A' ' 83' ' ' VAL . 37.7 mt-10 -107.62 160.85 25.16 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.648 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.24 35.54 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.068 2.512 . . . . 0.0 112.144 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.691 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.3 m -122.42 -179.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.349 -177.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t0 61.14 93.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.034 0.834 . . . . 0.0 109.843 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 47.8 m-85 -98.13 118.04 33.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.774 -168.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.771 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.435 ' OE1' ' HE2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.49 119.14 19.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.408 ' HH2' HG21 ' A' ' 59' ' ' ILE . 6.6 t90 -102.94 -83.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.865 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.722 HG13 HD12 ' A' ' 74' ' ' ILE . 8.8 pt -145.85 133.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.327 . . . . 0.0 111.624 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.5 133.8 52.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -131.11 144.91 51.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.049 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.3 p-10 -98.85 108.05 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.774 0.797 . . . . 0.0 108.957 171.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 tt -80.4 117.8 21.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.818 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.26 109.54 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -65.94 125.52 25.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.19 0.519 . . . . 0.0 111.178 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 16.6 p -81.01 117.81 21.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.964 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.7 116.26 16.23 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 120.863 0.364 . . . . 0.0 110.334 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.01 -22.88 8.62 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 119.986 -1.102 . . . . 0.0 112.965 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 48.3 mt-30 -100.23 139.47 35.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.821 0.343 . . . . 0.0 111.479 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.86 117.82 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -119.04 155.86 30.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.907 0.384 . . . . 0.0 110.968 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.83 104.99 14.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 171.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.33 120.17 32.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.626 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -92.8 103.14 15.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.96 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 68.4 mt -79.94 102.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 176.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -75.12 110.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.332 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.0 136.15 11.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.375 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -98.98 122.4 42.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 150.5 17.37 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.871 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 m -111.78 129.9 55.98 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.5 156.77 38.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.57 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -105.71 -24.74 12.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.128 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.786 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 66.0 m-85 -129.87 135.24 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.108 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 64.9 mt -114.75 121.4 43.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.775 ' HG3' HG12 ' A' ' 50' ' ' ILE . 31.0 ttt-85 -106.75 100.29 9.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.329 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.84 109.56 18.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.5 mt -107.1 100.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.452 HG23 HG13 ' A' ' 69' ' ' VAL . 49.1 mt -83.78 101.45 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.3 -48.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.765 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 44.5 m -150.28 167.5 26.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -148.24 168.61 22.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -75.62 -18.27 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.466 0.65 . . . . 0.0 109.721 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.36 -174.72 2.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -105.79 -17.19 14.45 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.48 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.85 126.96 55.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.679 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.48 127.83 53.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.9 t -127.73 127.44 43.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.673 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.1 p -101.97 137.72 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.192 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.56 -49.94 5.42 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.449 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . 19.9 m -160.04 145.33 15.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.13 149.67 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.651 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 30.6 t -150.77 152.1 33.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -126.59 125.09 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 41.0 mt-10 -99.97 133.16 44.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.049 0.452 . . . . 0.0 110.446 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.33 -145.7 10.05 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 2' ' ' ARG . 33.5 p -138.57 152.74 48.44 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.03 0.443 . . . . 0.0 110.988 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.57 118.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.969 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.2 t -86.9 -52.4 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.89 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p -106.72 122.37 46.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.084 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -98.56 108.8 21.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.78 98.83 7.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.365 0.603 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.8 m -154.73 -47.48 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.91 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.978 173.47 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 136' ' ' THR . 29.2 ptt180 -81.87 148.34 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 62.51 47.74 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.398 0.618 . . . . 0.0 109.971 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 tt -95.16 142.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.908 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.38 91.43 2.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 57' ' ' VAL . 20.0 mt -82.63 10.75 6.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.661 -172.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 34.6 t -94.53 -3.57 49.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.693 0.282 . . . . 0.0 111.686 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 74.0 mt -87.18 149.9 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.281 0.562 . . . . 0.0 112.181 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 31' ' ' ILE . 8.5 p -67.51 -24.3 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.7 m -69.21 -18.05 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.51 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 59.3 mm-40 -89.8 -8.28 52.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.006 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.92 61.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.169 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -72.55 139.3 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 110.776 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -128.36 128.6 44.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.61 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.92 118.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.352 0.596 . . . . 0.0 110.087 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.605 HG23 ' HB ' ' A' ' 50' ' ' ILE . 11.2 tt -114.55 147.1 18.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.018 -174.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt 75.76 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.933 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.46 90.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.722 0.639 . . . . 0.0 111.91 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.157 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -114.87 135.83 53.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.022 0.439 . . . . 0.0 110.732 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.7 m -158.36 157.02 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.021 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 26.4 t70 -119.15 151.07 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -64.24 -41.53 96.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 -177.436 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 3.0 mptp? -97.83 -3.38 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 0.0 111.05 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.5 m80 -134.49 73.32 68.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -88.6 145.63 5.79 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.795 2.33 . . . . 0.0 113.106 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HA ' HG13 ' A' ' 30' ' ' ILE . 28.0 Cg_endo -65.46 -12.48 35.17 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.549 2.166 . . . . 0.0 111.312 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -60.63 -26.76 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.459 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 6.2 m-20 -93.02 2.04 56.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.776 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.503 HG13 ' HA ' ' A' ' 27' ' ' PRO . 57.3 mt -71.29 -40.39 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 9' ' ' SER . 19.0 pt -78.3 -12.77 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.275 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 18.6 t70 -70.15 -56.27 7.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.19 176.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.17 0.31 65.77 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.867 -0.682 . . . . 0.0 114.103 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -88.76 143.25 31.46 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 117.652 0.726 . . . . 0.0 110.762 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.03 18.83 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.601 2.867 . . . . 0.0 113.543 -175.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -72.45 -55.33 7.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.141 0.496 . . . . 0.0 110.922 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.3 p -131.81 122.8 26.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.786 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -103.34 164.33 11.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.627 ' HE3' HG12 ' A' ' 128' ' ' VAL . 90.7 t90 -87.6 129.66 35.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 0.0 110.855 -177.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -132.65 149.2 52.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.912 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 126' ' ' ALA . 8.1 t -88.51 161.57 16.91 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.24 0.543 . . . . 0.0 111.371 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -6.7 59.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.014 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.49 27.14 7.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.307 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 ttp -110.44 107.32 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.799 0.333 . . . . 0.0 110.733 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -107.19 146.0 32.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.237 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.42 155.3 81.61 Favored 'Cis proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.67 -1.388 . . . . 0.0 111.933 -1.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.518 HE21 HD12 ' A' ' 118' ' ' ILE . 12.1 pt20 -121.29 152.29 39.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.4 147.9 22.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.48 142.67 29.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.633 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.605 ' HB ' HG23 ' A' ' 16' ' ' ILE . 54.7 mt -111.12 135.0 51.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.667 0.27 . . . . 0.0 110.328 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.4 mt -112.79 118.71 58.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.989 0.424 . . . . 0.0 110.157 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 m -93.2 128.66 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.08 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 59' ' ' ILE . 81.7 m-85 -77.1 -26.67 53.59 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.187 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 69.04 1.02 3.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.793 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' HG13 ' A' ' 57' ' ' VAL . 51.5 pttt -150.08 -175.65 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -104.04 105.6 15.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.989 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HD22 ' A' ' 6' ' ' LEU . 12.0 m -128.61 169.9 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 0.0 110.895 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 9.2 ptm85 -130.39 137.84 50.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.242 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 79.6 mt -101.08 133.6 43.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -175.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.44 -37.53 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.442 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 54.8 ttp180 -151.64 150.93 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.147 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.4 129.98 52.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 51.5 t -91.14 102.25 13.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mm -107.68 111.63 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.312 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -122.64 102.15 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.113 0.482 . . . . 0.0 109.818 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.4 p -150.44 -177.4 5.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 100' ' ' LEU . 8.6 m-85 -141.13 157.02 45.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.321 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 76.58 -23.93 0.23 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 167.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.715 HG13 HG23 ' A' ' 118' ' ' ILE . 61.2 t -59.53 135.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -176.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.525 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 71.8 mt-30 -95.17 -81.39 0.4 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.235 0.54 . . . . 0.0 109.6 171.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -98.66 109.73 22.44 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.59 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.2 tp -104.44 111.85 24.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.184 177.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.796 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 22.2 mtpp -89.69 110.12 21.04 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.548 HD12 HG13 ' A' ' 89' ' ' ILE . 31.5 mt -100.5 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 136.27 36.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.113 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.8 ptmm? -106.91 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.472 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.778 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 48.4 t -111.55 144.22 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.48 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 3.8 m -132.47 23.22 4.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.901 0.858 . . . . 0.0 109.002 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.459 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 13.3 m -82.78 -178.24 7.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.121 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -85.58 -29.1 24.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 79' ' ' SER . 1.2 pm0 -99.18 159.81 29.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.931 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -79.05 32.91 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.0 2.467 . . . . 0.0 113.32 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 27.5 m -135.81 -173.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.159 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.31 73.75 0.46 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.633 0.583 . . . . 0.0 110.416 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 77' ' ' SER . 0.2 OUTLIER -123.13 161.82 23.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.451 -174.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.35 148.6 27.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.996 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.506 ' NE2' ' HB2' ' A' ' 90' ' ' GLU . 35.5 tp60 -64.23 99.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.58 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 11.1 t90 -87.36 -82.45 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.321 -176.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.548 HG13 HD12 ' A' ' 74' ' ' ILE . 8.5 pt -133.28 108.74 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.695 0.759 . . . . 0.0 111.137 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.506 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . 27.6 tt0 -89.13 96.74 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -100.34 114.65 28.33 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.044 -169.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.525 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.3 p-10 -97.05 143.61 27.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 171.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -126.1 169.98 12.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.754 0.311 . . . . 0.0 110.468 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.16 132.7 56.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -69.41 138.98 54.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 10.3 p -117.32 138.47 51.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.14 0.495 . . . . 0.0 111.888 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 118.34 36.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.769 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.63 30.84 63.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.875 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.708 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 41.6 tt0 -152.02 125.17 8.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.723 0.296 . . . . 0.0 110.267 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -86.46 123.18 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.15 91.47 7.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 111.627 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.13 95.01 7.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -103.04 106.47 17.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 9.8 pt-20 -85.81 99.02 11.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.882 0.849 . . . . 0.0 110.026 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mm -80.17 113.14 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.703 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 106' ' ' VAL . 6.1 p -83.25 87.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.023 0.916 . . . . 0.0 110.046 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.0 117.32 25.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.208 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -102.32 107.88 19.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.13 167.29 39.73 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.3 m -111.18 143.06 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.43 153.24 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 12.5 p -111.92 -27.44 8.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.789 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.778 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 96.9 m-85 -131.55 126.38 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.948 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 54.5 mt -114.78 124.27 51.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.506 ' HG3' HG12 ' A' ' 50' ' ' ILE . 66.7 ttt180 -106.52 105.57 15.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 72' ' ' LEU . 42.3 m-85 -89.11 106.66 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.796 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 49.5 mt -107.97 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.017 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.715 HG23 HG13 ' A' ' 69' ' ' VAL . 49.6 mt -88.7 96.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.51 -51.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -133.17 154.33 50.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.693 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.95 158.74 43.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.082 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.0 -6.94 54.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.064 0.459 . . . . 0.0 110.237 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -135.5 177.3 7.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -84.27 -21.81 30.96 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -110.72 122.38 47.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.286 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.421 ' HB3' HE22 ' A' ' 47' ' ' GLN . . . -112.82 108.77 17.88 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.6 p -112.3 133.92 54.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.672 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -103.59 133.81 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -97.32 -47.29 5.77 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.241 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.8 p -157.35 132.09 8.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 0.0 111.317 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 17.5 m -133.3 146.3 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.472 173.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 44.0 m -150.67 139.71 21.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.231 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.49 112.21 25.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -97.03 115.57 27.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.372 0.606 . . . . 0.0 110.672 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -160.05 -143.67 3.74 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.161 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 2' ' ' ARG . 24.5 p -136.67 145.38 44.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.816 0.341 . . . . 0.0 110.658 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.59 99.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.41 -45.94 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.241 0.543 . . . . 0.0 109.706 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 p -154.17 133.21 12.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -77.48 -100.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.837 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 41.5 tp -168.52 136.37 2.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -173.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 p -65.74 95.79 0.26 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.387 0.613 . . . . 0.0 110.898 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.282 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.614 0.245 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.726 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.7 ptm180 -93.19 28.51 2.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.438 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -152.17 92.58 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -142.15 141.74 28.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.142 -173.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.41 86.17 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD13 ' HB ' ' A' ' 57' ' ' VAL . 90.9 mt -71.94 -7.19 47.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -170.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 73.7 m -93.82 -4.14 50.69 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 38.7 mt -69.52 148.83 48.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.959 0.409 . . . . 0.0 111.632 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -69.69 -20.78 63.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -71.74 -20.79 61.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 54.2 mm-40 -93.57 10.84 30.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.051 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.73 15.9 78.48 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.218 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -85.44 141.86 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.056 0.428 . . . . 0.0 110.118 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.35 153.71 48.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.045 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG12 HG12 ' A' ' 51' ' ' ILE . 28.5 m -106.95 145.21 14.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 17' ' ' LEU . 15.8 tt -131.59 156.42 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.931 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.723 HD12 HG12 ' A' ' 16' ' ' ILE . 10.1 mp 74.02 -90.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.64 0.776 . . . . 0.0 110.344 -174.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.09 93.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.847 0.717 . . . . 0.0 111.921 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.508 ' HB ' ' NE2' ' A' ' 47' ' ' GLN . 4.3 m -58.29 -20.4 42.46 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB3' HG23 ' A' ' 42' ' ' THR . 45.9 m -124.42 129.71 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.414 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -153.26 133.29 13.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.502 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 16.1 t70 -116.63 156.11 27.61 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -80.18 -38.45 31.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.978 0.418 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HD3' ' H ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -82.17 -29.76 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 m-70 -111.08 83.58 3.89 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 174.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.764 ' HD2' HG21 ' A' ' 37' ' ' THR . 89.9 Cg_endo -80.1 147.95 18.97 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.403 2.069 . . . . 0.0 112.713 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.79 5.66 1.27 Allowed 'Trans proline' 0 C--O 1.223 -0.263 0 C-N-CA 123.435 2.757 . . . . 0.0 112.725 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.48 -25.64 30.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.05 0.453 . . . . 0.0 110.584 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 29' ' ' ASN . 3.0 m120 -85.09 -17.5 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 tt -73.03 -31.82 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.433 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 7' ' ' CYS . 1.1 mt -63.47 -40.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.468 0.651 . . . . 0.0 110.217 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 -20.8 19.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.137 -174.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.25 50.75 6.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.084 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -86.38 119.84 71.78 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.536 0.208 . . . . 0.0 110.878 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.63 -20.22 56.8 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.19 2.594 . . . . 0.0 112.85 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.71 -32.53 74.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.764 HG21 ' HD2' ' A' ' 26' ' ' PRO . 98.2 m -141.42 115.34 9.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.208 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -97.76 142.79 29.1 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -99.9 139.73 35.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 125' ' ' PHE . 14.8 t -147.08 165.59 29.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.579 ' OG1' ' HA ' ' A' ' 125' ' ' PHE . 55.5 p -76.46 142.5 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.698 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 20' ' ' SER . 11.8 p -82.94 2.24 35.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 0.0 111.364 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.92 -16.51 18.3 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.92 -0.657 . . . . 0.0 113.18 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -87.97 105.01 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 111.43 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 93.3 m-85 -106.92 148.85 37.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.163 175.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 17.3 Cg_exo -68.03 155.7 87.7 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.889 -1.296 . . . . 0.0 112.886 -0.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.615 ' HB3' ' HB ' ' A' ' 118' ' ' ILE . 48.3 tp60 -107.02 127.76 53.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.194 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.11 129.36 56.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -148.27 127.92 13.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.474 . . . . 0.0 110.018 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' A' ' 16' ' ' ILE . 51.6 mt -106.78 127.71 62.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG12 HG12 ' A' ' 15' ' ' VAL . 53.3 mt -105.79 119.83 55.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.0 t -94.46 127.24 40.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.561 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 84.1 m-85 -67.08 -24.53 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.547 ' O ' ' HB3' ' A' ' 141' ' ' LEU . 26.7 t-80 64.29 21.96 12.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.421 0.629 . . . . 0.0 109.902 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 20.0 pttm -168.19 176.7 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.666 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 139' ' ' SER . 54.2 m80 -105.07 109.42 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 137' ' ' VAL . 17.5 m -128.32 164.34 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.877 0.37 . . . . 0.0 111.519 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -123.5 124.07 42.03 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 75.4 mt -90.12 138.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.109 -172.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -103.08 -49.9 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.972 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 28.6 mtm180 -141.73 157.31 45.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 0.0 110.823 176.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.57 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 84.8 mt -109.99 133.05 53.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.033 174.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.553 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 99.0 t -114.24 105.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.635 HG23 HG12 ' A' ' 131' ' ' VAL . 10.7 mt -118.07 114.56 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.793 -175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -100.82 102.25 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.603 ' HB2' HG21 ' A' ' 69' ' ' VAL . 25.5 p -130.89 142.45 50.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.718 0.294 . . . . 0.0 110.964 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -110.53 141.88 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.844 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 67.39 -99.64 0.05 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.78 0.675 . . . . 0.0 110.748 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.825 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.5 t 48.95 -151.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.575 0.547 . . . . 0.0 109.754 -176.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.825 ' H ' HG12 ' A' ' 69' ' ' VAL . 63.5 tt0 172.68 -73.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 109.397 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -116.39 104.58 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.995 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 tp -110.36 114.53 28.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 64.8 tttp -94.08 111.37 23.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.4 mt -93.17 102.75 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -102.85 136.73 42.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 86' ' ' GLU . 17.2 ptmt -106.65 150.91 25.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.419 -173.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.575 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 35.1 t -143.01 145.16 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.7 p -120.57 19.93 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.1 m -90.61 170.45 10.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.449 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -88.94 -24.89 22.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.677 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.4 mp0 -91.86 156.03 42.89 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.79 36.89 0.54 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.561 2.174 . . . . 0.0 112.394 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.5 m -132.08 170.77 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 65.31 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.587 0.755 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -114.04 162.4 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.197 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 34.0 tt0 -141.54 135.79 30.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.026 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.14 134.29 52.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CZ2' ' HB1' ' A' ' 107' ' ' ALA . 7.4 t90 -130.98 -74.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -139.85 108.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.68 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE2' ' HG3' ' A' ' 73' ' ' LYS . 7.5 mp0 -97.53 118.41 33.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 170.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -108.67 113.06 25.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.045 0.45 . . . . 0.0 111.227 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.99 104.51 14.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.4 159.46 15.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 112.246 -170.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.93 137.19 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.656 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -61.84 105.46 0.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.324 0.39 . . . . 0.0 111.643 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -77.81 125.09 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.642 171.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.32 119.72 39.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.611 -173.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.47 27.73 72.83 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.773 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -149.39 135.24 18.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.544 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.24 100.09 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.309 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 96' ' ' THR . 54.6 tt0 -86.12 108.52 18.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.768 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.48 128.6 34.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.884 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.29 94.96 9.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.135 0.493 . . . . 0.0 110.616 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 42.9 mt-10 -88.24 97.04 10.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.027 172.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -100.62 120.97 50.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.65 -171.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 m -73.03 104.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' HB1' ' CZ2' ' A' ' 88' ' ' TRP . . . -137.86 103.3 4.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.492 -170.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 m-70 -98.99 110.18 22.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.147 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.24 157.24 29.56 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.417 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -107.87 132.9 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.04 154.82 31.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.992 0.425 . . . . 0.0 111.216 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.3 p -110.27 -37.26 5.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.987 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 87.7 m-85 -122.4 134.2 54.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.99 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 76' ' ' LYS . 57.6 mt -120.39 124.96 46.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 172.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.16 105.88 16.12 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -83.64 107.4 16.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.473 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.3 mt -101.12 102.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.96 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.615 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 39.8 mt -82.04 94.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.764 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 7.7 t -157.34 157.21 33.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.079 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.45 159.19 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.069 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -70.62 -21.15 62.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.252 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -130.84 -172.36 2.8 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -84.96 -26.09 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.579 ' HA ' ' OG1' ' A' ' 41' ' ' THR . 45.3 p90 -118.78 122.38 42.28 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.47 0.653 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.51 110.77 22.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.126 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.7 m -104.89 120.34 41.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.071 0.462 . . . . 0.0 110.914 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -103.97 128.14 57.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.18 -44.88 13.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.328 -173.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.4 p -161.4 148.84 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.177 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 64' ' ' ILE . 10.6 m -131.1 134.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.639 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.553 ' OG ' ' HB ' ' A' ' 63' ' ' VAL . 62.1 p -141.39 137.69 32.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.919 0.39 . . . . 0.0 111.364 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.42 102.98 12.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 58.0 mt-10 -94.22 125.36 38.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.271 0.558 . . . . 0.0 110.654 -173.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.78 -126.46 1.01 Allowed Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.749 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -146.53 149.73 34.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.912 0.387 . . . . 0.0 111.927 -178.137 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 57' ' ' VAL . 29.7 m -88.52 146.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.84 -32.74 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.648 0.737 . . . . 0.0 109.575 175.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 56' ' ' HIS . 5.3 t -157.31 135.52 11.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.503 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -115.25 128.07 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.946 0.403 . . . . 0.0 111.205 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.547 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 45.5 tp -104.96 7.45 34.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.719 0.771 . . . . 0.0 109.227 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.6 m -97.67 15.76 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.046 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.241 -179.43 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.776 0.322 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.972 ' HA ' HG22 ' A' ' 136' ' ' THR . 51.9 mtp180 -142.77 -26.58 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.385 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.45 79.13 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.473 0.654 . . . . 0.0 109.489 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.6 tt -113.45 141.55 28.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.085 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HB3' ' HG ' ' A' ' 8' ' ' LEU . 6.9 m-20 -70.78 95.86 1.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.396 0.617 . . . . 0.0 110.436 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 22.1 mt -75.27 -15.01 60.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.521 -168.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 79.8 m -94.12 -3.35 51.21 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.977 -0.452 . . . . 0.0 112.217 -174.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 5' ' ' ASP . 16.9 mt -77.02 158.99 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -62.38 -29.03 70.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.108 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 p -66.03 -26.28 67.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.113 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.83 -0.7 57.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.29 9.21 85.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.19 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 118.95 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 110.293 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -103.48 153.23 20.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.044 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 HG12 ' A' ' 51' ' ' ILE . 34.6 m -92.22 149.47 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.04 0.448 . . . . 0.0 110.56 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 50' ' ' ILE . 14.9 tt -139.7 152.78 22.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tt 73.67 -88.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.751 0.821 . . . . 0.0 110.142 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.18 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.716 0.635 . . . . 0.0 111.773 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.949 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -107.57 109.61 21.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.21 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 p -128.27 103.46 7.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.438 0.637 . . . . 0.0 110.653 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 18.1 t0 -92.48 150.44 20.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.043 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.72 -25.42 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.284 0.564 . . . . 0.0 110.045 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -91.82 -17.01 25.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.201 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.0 m80 -138.76 72.44 41.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.436 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 46.9 Cg_endo -70.87 149.33 59.63 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.109 1.873 . . . . 0.0 112.003 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 35.3 Cg_exo -61.81 -13.27 29.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.134 2.556 . . . . 0.0 112.221 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -63.26 -21.93 66.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -76.13 -12.08 60.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.565 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 130' ' ' SER . 56.0 mt -70.13 -23.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.721 0.772 . . . . 0.0 109.442 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -111.93 -106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.608 172.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 71.93 -51.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.301 0.64 . . . . 0.0 112.58 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.39 -25.83 18.52 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.781 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.87 142.36 41.94 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 117.541 0.671 . . . . 0.0 111.179 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.652 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 88.1 Cg_endo -85.5 8.2 4.7 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.881 2.387 . . . . 0.0 112.898 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -90.42 -65.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.839 -175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -91.38 145.58 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.633 0.254 . . . . 0.0 111.025 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -138.62 177.67 7.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.672 ' HE3' HG12 ' A' ' 128' ' ' VAL . 87.2 t90 -110.51 136.24 49.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.618 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.9 t -137.16 145.31 43.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 44' ' ' MET . 6.2 m -88.66 135.93 33.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.569 -178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -81.62 39.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.042 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 10.99 82.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.728 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.425 ' H ' HG22 ' A' ' 41' ' ' THR . 27.8 ttt -83.92 88.18 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 94.1 m-85 -106.59 133.7 20.14 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.415 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 5.8 Cg_endo -86.39 153.18 48.52 Favored 'Cis proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.502 -1.457 . . . . 0.0 112.056 -1.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.506 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 1.6 pm0 -107.02 138.21 43.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.094 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -129.57 129.57 44.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.45 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -144.64 145.6 31.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.007 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 16' ' ' ILE . 52.1 mt -119.67 137.08 54.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.19 -176.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.596 HG12 HG12 ' A' ' 15' ' ' VAL . 57.0 mt -115.65 122.11 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 10.1 p -100.03 126.88 46.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.87 -25.35 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.47 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.3 t60 69.0 14.03 8.82 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.502 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HD2' ' HA ' ' A' ' 140' ' ' ASN . 51.2 pttt -163.67 -175.33 4.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.116 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -96.32 116.64 29.36 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.713 -175.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 166.6 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 138' ' ' VAL . 98.5 mtt180 -127.48 124.42 38.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.188 171.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 72.7 mt -89.72 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.882 -177.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 108' ' ' HIS . 5.8 tp10 -119.89 -38.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 27.3 mtp-105 -144.05 170.98 14.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 95.9 mt -130.39 134.08 46.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.833 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -123.02 104.65 14.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.763 HG23 HG12 ' A' ' 131' ' ' VAL . 16.9 mt -119.46 135.98 58.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.92 0.39 . . . . 0.0 111.405 -172.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.04 102.88 10.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' HD22 ' A' ' 93' ' ' LEU . 17.8 m -131.84 166.52 21.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.767 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 17.9 m-85 -122.22 140.45 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 174.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 65.7 -99.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.392 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 72' ' ' LEU . 48.6 t 48.34 93.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 123.747 0.654 . . . . 0.0 112.684 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 121' ' ' ALA . 26.2 tt0 -85.25 -47.83 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 110.072 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -130.27 105.93 8.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.253 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 38.7 tp -109.34 109.71 20.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.405 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 84.5 tttt -89.9 107.97 19.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.557 ' HB ' HG13 ' A' ' 89' ' ' ILE . 57.8 mt -92.52 100.33 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 19.2 tt0 -96.01 136.92 35.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.568 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 18.6 ttmt -106.62 135.57 47.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.704 -173.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.747 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 46.4 m -131.37 126.62 35.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.74 18.67 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 0.0 110.32 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -83.09 179.4 7.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.221 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.665 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 13.4 ptmm? -76.41 -24.58 54.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.636 0.731 . . . . 0.0 109.831 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.665 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 42.6 mt-10 -119.23 171.4 5.43 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.642 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.22 45.35 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.051 2.5 . . . . 0.0 112.455 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.57 -173.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.874 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.41 88.83 0.1 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.507 0.67 . . . . 0.0 109.374 -174.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 40.2 m-85 -109.09 112.23 24.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.703 -170.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.79 141.91 49.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -77.3 101.26 6.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.615 0.721 . . . . 0.0 109.534 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 10.6 t90 -75.31 -60.8 2.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.128 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.557 HG13 ' HB ' ' A' ' 74' ' ' ILE . 1.5 pt -149.09 103.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.193 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 1.0 OUTLIER -83.04 97.08 8.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.573 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -100.6 175.03 5.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.739 0.781 . . . . 0.0 112.174 -172.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -140.22 122.46 15.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.256 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 66' ' ' SER . 52.3 tp -91.28 106.28 18.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.13 0.491 . . . . 0.0 110.329 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -81.38 98.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -70.91 121.07 17.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -174.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -71.39 136.95 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.307 175.233 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.64 116.31 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.343 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.67 24.02 70.95 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.37 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.713 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 44.7 tt0 -140.5 146.99 38.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 1.7 tt -84.0 115.39 22.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -87.73 102.68 14.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.844 0.354 . . . . 0.0 110.116 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.42 130.37 42.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 53.1 tt0 -92.2 93.57 8.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.766 0.793 . . . . 0.0 109.756 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.37 108.93 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.181 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 60.9 mt -121.65 135.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.601 -176.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.02 89.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.53 111.59 13.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.875 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.577 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 13.7 p-80 -121.28 114.4 21.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.0 111.531 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.14 169.1 40.78 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.008 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m -94.28 129.7 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.175 0.488 . . . . 0.0 110.155 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.37 151.61 31.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.722 0.296 . . . . 0.0 110.614 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -108.49 -35.65 6.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.48 0.657 . . . . 0.0 110.049 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.747 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 70.2 m-85 -124.28 137.58 54.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.793 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.47 116.99 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -106.78 103.74 13.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.71 117.54 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.525 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.6 mt -116.79 108.14 24.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.8 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.506 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 42.7 mt -89.59 118.16 34.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 58.4 t -81.05 -46.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.9 t -160.2 164.63 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' A' ' 70' ' ' GLN . . . -130.88 178.88 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.16 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -85.47 -5.65 59.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 110.415 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.62 176.02 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -78.9 -7.51 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.97 158.17 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.6 135.2 34.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.592 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -133.67 143.11 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.024 0.44 . . . . 0.0 111.433 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.672 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.7 p -134.19 137.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.652 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 11.3 t-80 -91.25 -65.03 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.231 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 44.0 m -149.3 138.56 21.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 64' ' ' ILE . 35.8 m -110.74 141.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.086 172.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.607 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 39.4 m -144.29 150.92 38.63 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -128.13 139.03 52.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 45.6 mt-10 -94.18 156.24 16.65 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 150.28 -154.97 25.98 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.634 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 2' ' ' ARG . 34.2 p -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.668 0.27 . . . . 0.0 110.439 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.44 114.96 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.344 0.593 . . . . 0.0 110.418 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 43.6 t -72.86 -41.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.796 0.808 . . . . 0.0 109.514 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 5.2 m -145.81 102.22 3.64 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.026 176.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.581 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 10.0 t-20 -68.77 -177.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 141' ' ' LEU . 0.3 OUTLIER -70.06 84.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.37 0.605 . . . . 0.0 109.931 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.9 m -145.82 18.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.775 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.352 -0.832 . . . . 0.0 109.724 178.562 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.465 0.174 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 56.55 31.88 19.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.237 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -155.47 137.63 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.104 -175.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 2.0 m-20 -64.95 96.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.467 178.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 57' ' ' VAL . 95.3 mt -80.85 -4.28 54.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.577 ' O ' HD13 ' A' ' 31' ' ' ILE . 75.6 m -90.47 -3.8 57.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.736 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 5' ' ' ASP . 50.5 mt -58.2 140.41 53.09 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.176 0.512 . . . . 0.0 111.563 -176.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -18.32 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.843 174.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -80.76 -10.03 59.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.047 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -101.77 -1.53 32.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.763 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.22 19.72 48.83 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.95 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -97.04 134.72 40.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.361 . . . . 0.0 110.045 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 147.17 47.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.259 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.695 HG12 HG12 ' A' ' 51' ' ' ILE . 7.9 m -95.74 106.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.849 0.833 . . . . 0.0 110.66 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.494 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.9 tt -95.77 161.91 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.385 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' N ' HG12 ' A' ' 16' ' ' ILE . 3.8 tp 76.16 -101.34 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.159 0.584 . . . . 0.0 110.924 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 59.48 111.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 112.049 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -58.42 -28.55 65.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.79 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.406 ' HB3' HG23 ' A' ' 42' ' ' THR . 60.9 m -137.53 81.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.059 0.456 . . . . 0.0 111.52 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -90.44 126.9 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.708 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 12.1 t70 -92.39 146.92 23.31 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -28.73 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -172.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.708 ' HG2' ' OD1' ' A' ' 22' ' ' ASP . 22.1 pttm -89.23 -29.0 19.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.495 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 2.1 t60 -130.36 88.4 47.65 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.544 171.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 35.6 Cg_endo -63.69 156.86 54.91 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.815 2.343 . . . . 0.0 112.561 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.457 ' O ' HG22 ' A' ' 30' ' ' ILE . 17.2 Cg_exo -67.84 5.6 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.585 2.857 . . . . 0.0 113.478 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.0 -24.9 64.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 29' ' ' ASN . 1.5 m120 -81.0 1.93 29.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG23 HG13 ' A' ' 31' ' ' ILE . 9.3 tt -79.56 -7.96 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 109.43 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 7' ' ' CYS . 23.7 mt -137.93 -96.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.618 172.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 68.43 -53.65 0.54 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.321 1.048 . . . . 0.0 112.484 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.16 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.948 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 4.1 m120 -89.62 128.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 6.0 Cg_exo -80.19 19.59 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.952 2.434 . . . . 0.0 112.729 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.948 ' HG2' ' HB3' ' A' ' 34' ' ' ASN . 13.1 mm-40 -65.15 -52.57 54.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.998 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.733 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -141.08 -173.06 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.934 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.733 ' H ' HG22 ' A' ' 37' ' ' THR . 10.3 p90 -149.21 -178.32 6.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.545 0.212 . . . . 0.0 110.732 -176.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -103.48 131.28 50.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 t -116.47 166.03 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.627 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.45 ' HA ' HE22 ' A' ' 47' ' ' GLN . 67.8 p -89.39 153.84 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -176.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.406 HG23 ' HB3' ' A' ' 20' ' ' SER . 37.6 p -82.66 -29.87 29.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 174.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.36 22.22 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.322 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.61 68.46 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -76.2 152.94 84.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.464 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.798 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 72.0 Cg_endo -79.59 138.27 46.36 Favored 'Cis proline' 0 C--O 1.234 0.278 0 C-N-CA 123.323 -1.532 . . . . 0.0 112.607 -0.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 41' ' ' THR . 6.8 mt-30 -108.17 131.55 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 10.8 pt-20 -124.33 157.23 35.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.658 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -148.45 145.68 28.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.853 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.494 ' HB ' HG23 ' A' ' 16' ' ' ILE . 70.8 mt -114.28 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.393 -174.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.695 HG12 HG12 ' A' ' 15' ' ' VAL . 24.9 mt -93.84 122.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 t -102.8 120.98 41.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.2 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.0 m-85 -76.74 -24.22 53.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.768 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 141' ' ' LEU . 84.2 m-70 65.58 6.79 4.0 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.248 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 57' ' ' VAL . 53.0 pttt -155.49 169.19 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.878 ' HB3' ' HB3' ' A' ' 139' ' ' SER . 10.8 t60 -98.05 105.79 17.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.06 0.457 . . . . 0.0 110.32 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.634 ' HB ' HD13 ' A' ' 6' ' ' LEU . 23.5 m -112.86 154.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.999 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 52.2 ttp180 -100.24 111.91 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.8 mt -90.64 125.76 43.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.953 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -123.57 -13.47 7.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.611 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 5.8 mmt180 -148.8 157.81 43.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.038 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.777 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 7.4 mp -131.43 132.69 44.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.91 102.23 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 HG12 ' A' ' 131' ' ' VAL . 20.0 mm -100.71 101.64 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.037 -177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -99.66 101.99 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.632 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 p -159.24 166.94 30.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 80.4 m-85 -118.88 147.77 43.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.127 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 64.27 -137.0 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.438 0.461 . . . . 0.0 110.431 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.698 ' HB ' HD12 ' A' ' 93' ' ' LEU . 57.7 t 71.58 121.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.34 0.59 . . . . 0.0 111.213 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -97.45 -72.59 0.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 30.2 m -108.12 107.28 17.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 0.0 110.965 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD11 ' HD2' ' A' ' 116' ' ' PHE . 55.4 tp -108.09 109.41 20.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.277 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.627 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 68.7 mttm -89.91 120.57 31.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.898 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 89' ' ' ILE . 31.1 mt -106.72 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -96.16 147.94 23.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.893 178.483 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 10.2 ptmm? -123.62 154.68 38.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.023 0.44 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 30.2 t -138.94 143.15 38.49 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -112.16 14.18 20.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.34 0.59 . . . . 0.0 110.417 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 t -87.99 -176.41 5.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.739 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 80' ' ' LYS . 50.8 mtpt -103.78 -10.15 18.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.254 0.55 . . . . 0.0 110.023 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 30.4 tt0 -106.6 141.9 23.79 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.757 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 16.0 Cg_exo -70.13 44.72 0.46 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.37 2.713 . . . . 0.0 113.477 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.99 173.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.462 0.172 . . . . 0.0 110.631 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 55.6 69.15 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.844 0.715 . . . . 0.0 111.675 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.76 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 96.4 m-85 -94.15 141.15 28.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.362 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -117.24 130.9 56.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.903 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.576 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt0 -59.69 123.02 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.35 -173.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 12.0 t90 -94.61 -67.26 0.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.645 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 74' ' ' ILE . 6.1 pt -144.72 137.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.189 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.22 123.44 46.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -119.62 139.81 51.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 0.0 111.176 -170.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.26 145.9 40.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.698 HD12 ' HB ' ' A' ' 69' ' ' VAL . 97.4 mt -117.75 174.35 6.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.641 0.258 . . . . 0.0 110.474 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.9 143.62 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -77.48 99.42 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.074 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.992 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 11.9 p -128.7 126.09 39.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.015 0.436 . . . . 0.0 111.926 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.98 117.35 26.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.82 8.31 67.94 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.683 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.992 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 86.5 mm-40 -112.78 110.93 21.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -82.87 106.34 14.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -88.39 96.9 10.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -82.4 107.56 15.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 14.8 mm-40 -92.09 115.57 28.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.457 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mm-40 -86.57 103.42 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.385 173.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.777 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 75.3 mt -103.02 117.43 48.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.99 92.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.063 0.935 . . . . 0.0 110.311 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -126.64 118.88 25.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.3 p80 -108.1 108.31 19.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -174.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.03 -172.09 32.08 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.852 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.6 m -137.01 137.11 39.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -155.1 158.89 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.687 0.28 . . . . 0.0 110.836 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.0 p -109.71 -31.07 7.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.6 m-85 -127.27 131.01 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.128 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.5 mt -115.31 123.45 48.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.478 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.464 ' HD2' ' CD2' ' A' ' 85' ' ' PHE . 76.4 ttt180 -106.54 102.45 11.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -177.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.3 m-85 -90.84 110.48 21.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.206 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.627 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 58.0 mt -107.52 107.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.518 HG23 HG13 ' A' ' 69' ' ' VAL . 47.8 mt -90.87 99.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.798 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 50.7 t -67.86 -45.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.203 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.6 t -158.1 175.15 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.03 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.02 174.62 11.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.09 -15.31 58.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 0.0 110.46 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.55 162.14 33.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -70.65 -20.18 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.551 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.5 122.29 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.94 16.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.716 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 t -135.96 126.51 26.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.427 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.56 125.48 59.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.605 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 20.0 t-80 -85.33 -46.47 10.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.412 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.8 m -161.19 134.2 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.964 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 64' ' ' ILE . 3.1 m -115.57 90.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.43 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 20.9 m -95.07 153.64 17.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.595 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.11 119.81 37.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 61.3 mt-10 -102.83 149.97 23.96 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.316 0.579 . . . . 0.0 111.084 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 156.73 -137.64 5.54 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -176.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 p -145.35 153.99 41.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.182 0.491 . . . . 0.0 110.684 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.57 118.22 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.562 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.69 -38.3 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.691 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.878 ' HB3' ' HB3' ' A' ' 56' ' ' HIS . 21.3 t -135.02 149.82 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.611 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -76.95 -165.71 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 0.0 111.685 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 54' ' ' HIS . 7.0 tt -53.02 122.56 9.59 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.882 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 p -76.52 97.03 4.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.085 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.422 -178.552 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 136' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.345 0.117 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 2' ' ' ARG . 41.0 ttp180 -127.57 144.27 51.09 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt 58.71 41.3 22.13 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.831 0.824 . . . . 0.0 110.099 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 tt -95.41 141.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.588 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -65.23 107.19 1.51 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' HB ' ' A' ' 57' ' ' VAL . 37.0 mt -90.17 -8.96 49.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.1 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -94.47 -16.44 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.956 0.408 . . . . 0.0 110.985 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.426 HD22 ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -60.86 140.62 57.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.622 -175.793 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.2 p -63.3 -17.39 62.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.147 177.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.426 ' OG ' HD22 ' A' ' 8' ' ' LEU . 8.4 m -71.24 -17.38 62.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.33 0.586 . . . . 0.0 109.949 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -97.12 -1.15 45.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 12.75 72.87 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.859 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.8 m -72.16 133.86 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.489 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -111.83 153.0 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.668 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 27' ' ' PRO . 14.9 m -101.87 140.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.059 174.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.942 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.6 tt -130.93 146.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -175.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.5 tt 71.8 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.802 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.42 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.71 0.631 . . . . 0.0 111.814 -173.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -40.75 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.572 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 m -92.15 89.35 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -120.5 117.46 27.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.61 151.52 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.423 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.79 -30.69 32.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.941 0.401 . . . . 0.0 110.32 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.13 -22.03 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.077 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -131.44 76.39 75.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.754 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 6.2 Cg_exo -79.72 156.91 24.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.273 2.649 . . . . 0.0 112.341 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.7 Cg_exo -67.69 -7.36 19.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.371 2.714 . . . . 0.0 113.78 -175.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -11.57 47.43 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.497 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -70.23 -16.23 63.02 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.233 173.305 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 39' ' ' TRP . 47.4 mt -56.75 -56.3 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 9' ' ' SER . 0.7 OUTLIER -84.05 -91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.559 173.36 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 32.5 t70 74.26 -51.18 0.68 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 165.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.28 18.03 10.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.202 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' OG1' ' A' ' 37' ' ' THR . 52.5 m-80 -134.6 138.18 29.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 13.2 Cg_exo -71.49 -29.42 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.769 2.313 . . . . 0.0 112.447 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -83.16 -16.87 44.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.649 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 34' ' ' ASN . 8.3 p -91.35 139.09 31.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.237 -0.29 . . . . 0.0 110.235 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -154.0 167.25 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.418 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.6 t90 -119.2 140.57 49.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -133.51 165.92 23.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -100.07 141.76 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p -87.84 24.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.87 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.88 -0.69 87.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.619 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 ttt -76.88 85.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.61 0.243 . . . . 0.0 110.682 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 96.7 m-85 -106.92 128.74 25.53 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.357 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 92.3 Cg_endo -88.05 154.62 39.52 Favored 'Cis proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.217 -1.576 . . . . 0.0 112.715 -0.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.736 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -127.64 175.4 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.772 176.221 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.59 144.4 25.25 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.988 0.423 . . . . 0.0 111.018 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.942 ' HB ' HG23 ' A' ' 16' ' ' ILE . 19.2 mt -105.83 129.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -114.06 120.95 65.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.1 p -103.56 133.03 49.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.078 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 98.0 m-85 -70.69 -13.0 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.278 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' CD2' ' HG ' ' A' ' 141' ' ' LEU . 41.8 t60 69.55 9.43 7.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.018 175.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 139' ' ' SER . 45.1 pttt -168.28 -176.3 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.324 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.96 117.67 30.03 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.527 ' HB ' HD13 ' A' ' 6' ' ' LEU . 21.5 m -131.97 168.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.082 0.467 . . . . 0.0 111.639 -176.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 55.3 mtt-85 -118.97 125.3 49.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.004 172.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -97.97 127.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -120.83 -34.35 3.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.768 0.318 . . . . 0.0 110.602 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 mtp-105 -146.36 141.59 27.39 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.385 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -110.16 115.8 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 58.9 t -91.13 100.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 131' ' ' VAL . 35.7 mt -115.62 115.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.473 0.654 . . . . 0.0 111.936 -174.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HG3' HD21 ' A' ' 100' ' ' LEU . 47.2 tt0 -96.46 102.79 14.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.44 171.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 p -122.05 153.61 38.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.199 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 m-85 -135.97 138.13 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.681 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 72.39 -10.75 0.88 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.878 0.736 . . . . 0.0 112.414 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.61 144.08 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -113.82 -63.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 109.662 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -119.38 105.32 11.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 118' ' ' ILE . 41.6 tp -108.95 104.63 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -89.78 121.01 31.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.673 HD12 HG13 ' A' ' 89' ' ' ILE . 43.4 mt -100.09 107.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 14.3 mt-10 -95.72 134.52 38.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 19.0 ttmt -106.96 131.09 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.507 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 75.4 m -131.33 130.04 42.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.834 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -117.21 27.48 9.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.603 0.716 . . . . 0.0 109.669 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -94.76 -178.68 4.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.834 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 24.0 pttm -77.49 -24.93 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.597 0.713 . . . . 0.0 109.892 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 14.3 mt-10 -119.15 158.16 49.03 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.82 70.43 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.976 1.784 . . . . 0.0 111.272 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.83 159.81 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.555 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.78 85.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.378 0.609 . . . . 0.0 110.195 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 93.9 m-85 -107.99 110.05 21.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 -176.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.59 142.1 30.2 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -73.08 96.43 2.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 109.33 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.51 -67.04 0.76 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.084 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.673 HG13 HD12 ' A' ' 74' ' ' ILE . 4.4 pt -145.32 115.03 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.922 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -91.74 119.22 31.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 172.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -99.77 123.4 43.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.394 0.616 . . . . 0.0 111.635 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -94.8 120.98 35.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.804 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -107.08 145.31 32.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.721 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.69 143.99 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -66.97 103.77 1.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.665 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 40.2 p -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.082 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.16 124.37 48.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.56 -24.37 3.74 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.006 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 58.8 tt0 -96.07 111.17 23.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 110.211 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.0 tt -82.59 109.22 16.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -85.67 94.73 9.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.306 0.574 . . . . 0.0 111.553 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.11 97.37 10.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -92.29 116.06 28.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 111.468 -171.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -80.1 98.39 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.475 173.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 72.1 mt -90.47 97.88 7.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.87 0.367 . . . . 0.0 110.601 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.63 100.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 110.15 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.58 117.49 12.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.391 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -98.99 112.75 24.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -174.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 -174.18 36.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.4 m -136.7 139.72 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.36 155.94 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.7 p -109.99 -33.79 6.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.061 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 93.0 m-85 -127.3 128.29 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.095 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.4 mt -115.03 125.61 53.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.557 ' CG ' HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -106.45 103.44 12.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 72' ' ' LEU . 50.3 m-85 -85.98 112.22 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.197 177.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.9 mt -111.42 110.67 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.736 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 50.6 mt -84.24 93.89 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.5 t -64.52 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.005 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.8 m -156.41 157.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.99 167.03 21.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -86.17 -14.64 43.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.966 0.412 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -120.86 171.27 8.74 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.932 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -11.19 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.796 0.332 . . . . 0.0 111.032 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -136.31 154.16 50.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.693 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.07 139.01 28.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -131.09 147.34 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.239 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.418 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.8 p -135.2 155.04 36.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -131.13 -63.7 0.84 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.214 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -110.74 105.12 13.87 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.556 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.633 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -119.02 90.76 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.069 171.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 49.8 m -100.16 146.22 27.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.323 -172.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -114.35 109.12 17.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -94.43 119.88 33.82 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -169.69 -131.43 1.32 Allowed Glycine 0 N--CA 1.437 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.84 177.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 1' ' ' MET . 36.3 p -140.49 171.15 14.53 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 57' ' ' VAL . 16.1 m -108.24 126.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.175 0.512 . . . . 0.0 110.917 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.73 -40.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 47.9 m -150.66 117.17 5.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.666 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -81.43 166.56 20.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.849 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 141' ' ' LEU . 0.8 OUTLIER -78.08 73.69 4.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.848 0.832 . . . . 0.0 109.637 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.5 m -146.63 17.41 1.29 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.057 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.161 -177.329 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -128.93 8.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.209 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 18.4 pttp -135.3 105.53 6.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.863 0.839 . . . . 0.0 110.614 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.2 tt -111.09 154.29 12.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.156 175.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.74 105.12 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 109.982 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 35.4 mt -90.66 11.36 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.132 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -93.05 -3.5 54.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.41 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 30.0 mt -87.95 143.58 27.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.335 0.588 . . . . 0.0 111.388 -172.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' HB3' HG13 ' A' ' 31' ' ' ILE . 52.8 p -73.66 -17.31 61.16 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.298 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -91.49 -11.41 37.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 5.2 tm-20 -76.18 -33.4 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.286 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.62 16.64 3.34 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.369 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 m -110.77 147.35 34.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 0.237 . . . . 0.0 110.447 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -126.3 153.59 44.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 110.676 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.2 139.05 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.889 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.2 tt -137.78 133.79 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.485 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.6 tt 67.38 94.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.46 129.65 56.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -54.48 -37.1 64.86 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.558 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 t -152.34 161.82 42.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 48.1 t -168.36 151.86 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -177.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -118.42 141.41 48.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.39 -8.57 54.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.961 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -31.91 49.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -141.89 89.39 8.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.915 171.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.557 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 58.2 Cg_endo -70.44 158.67 55.38 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.105 2.537 . . . . 0.0 112.928 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.588 ' HD3' ' OG ' ' A' ' 21' ' ' SER . 41.4 Cg_exo -58.22 -24.8 68.98 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.698 2.932 . . . . 0.0 113.58 -176.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' OE1' ' HB2' ' A' ' 26' ' ' PRO . 1.4 pm0 -61.44 -14.61 29.81 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.318 -0.239 . . . . 0.0 111.55 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 27.8 t-20 -68.89 -22.87 64.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.491 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 tt -67.21 -26.2 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.414 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 9' ' ' SER . 14.9 pt -107.63 -16.89 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.415 0.626 . . . . 0.0 110.451 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.4 t70 -65.7 -50.74 63.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.346 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.32 5.73 32.08 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.588 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -83.8 117.25 68.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.551 0.675 . . . . 0.0 110.028 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -83.47 19.43 1.34 Allowed 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.544 2.829 . . . . 0.0 113.716 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.71 -60.22 2.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.529 0.68 . . . . 0.0 110.86 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 m -151.49 164.05 37.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.336 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.856 ' HB3' ' HB2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -94.02 171.93 8.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.49 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -85.29 125.59 33.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -132.07 143.88 50.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.158 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 158.81 19.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.253 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.8 p -82.66 21.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.47 48.7 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.606 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.518 ' HA ' ' CE ' ' A' ' 44' ' ' MET . 7.8 mmt -80.8 88.94 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -107.16 146.75 33.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.784 174.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 166.93 81.47 Favored 'Cis proline' 0 N--CA 1.462 -0.367 0 C-N-CA 123.09 -1.629 . . . . 0.0 112.095 -0.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.805 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 51.2 mt-30 -107.22 148.96 28.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 10.2 pt-20 -158.35 122.24 4.02 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.747 168.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 39.9 p90 -128.69 141.21 51.41 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.435 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.0 mt -109.69 122.76 64.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -174.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -107.74 120.04 58.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.3 p -106.74 127.33 53.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.48 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 96.0 m-85 -70.57 -13.52 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.745 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 66.22 13.77 9.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.347 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 22.7 pttm -169.14 167.09 10.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -87.36 107.07 18.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 0.0 110.331 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.74 168.68 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 111.11 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.4 ttm180 -117.56 128.41 54.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.481 173.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.06 133.14 46.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.291 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 35.5 tt0 -105.5 -40.73 5.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.966 0.412 . . . . 0.0 110.002 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 65.6 mtt-85 -141.47 146.91 37.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.203 0.525 . . . . 0.0 111.623 -175.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 60.4 mt -115.25 105.66 13.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.141 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 54.6 t -91.19 95.71 5.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.838 HG23 HG12 ' A' ' 131' ' ' VAL . 28.7 mt -107.67 116.05 50.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -172.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 101' ' ' GLN . 47.2 mt-30 -109.69 110.36 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.848 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -136.16 167.82 20.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.299 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -136.13 144.38 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.718 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 75.17 -23.38 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.836 0.854 . . . . 0.0 112.984 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 118' ' ' ILE . 55.0 t -54.99 136.03 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -114.97 -50.77 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 6.4 m -120.16 113.87 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.776 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD11 ' HD2' ' A' ' 116' ' ' PHE . 30.9 tp -122.46 107.74 12.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 58.0 tttm -101.49 109.06 20.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.729 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -95.59 111.79 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.25 151.85 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 178.214 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 88' ' ' TRP . 16.1 ptpt -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.7 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 9.5 t -143.17 143.95 31.99 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 170.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.6 p -113.29 7.82 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.985 0.421 . . . . 0.0 111.427 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -91.85 178.96 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.632 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -103.65 9.55 37.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.903 0.859 . . . . 0.0 109.207 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 26.0 mt-10 -119.24 139.86 28.15 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.567 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 7.6 Cg_exo -74.62 45.97 1.37 Allowed 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.142 2.561 . . . . 0.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.85 143.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.833 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 63.78 97.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.907 174.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 70.4 m-85 -113.0 145.31 41.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.798 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -102.41 144.52 30.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.638 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 22.9 pt20 -67.84 131.69 46.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 10.3 t90 -118.92 -72.75 0.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.97 100.56 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.886 0.374 . . . . 0.0 111.336 -175.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.73 101.06 12.72 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -115.04 140.56 48.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.7 134.77 46.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.544 173.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.01 172.44 7.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.43 143.6 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.17 104.11 2.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.449 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.2 p -112.45 121.97 46.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.413 175.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.3 141.11 36.49 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.95 -40.42 2.66 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.051 -173.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.6 mt-30 -92.84 110.84 22.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.48 120.59 15.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.8 tm0? -69.55 97.68 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -119.99 102.81 8.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.332 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 47.2 mm-40 -92.32 120.95 33.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -99.58 89.51 4.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 57.3 mt -94.95 110.08 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.938 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.39 88.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.069 0.938 . . . . 0.0 109.598 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB2' HG22 ' A' ' 105' ' ' ILE . . . -123.56 114.11 19.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.72 -172.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -99.08 122.33 42.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.522 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 168.82 40.63 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.46 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m -131.31 114.08 14.58 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.09 161.49 38.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.891 0.377 . . . . 0.0 111.054 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.7 p -108.15 -33.22 7.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.259 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.455 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 40.4 m-85 -125.24 131.5 53.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.381 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 mt -114.91 127.19 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.726 0.298 . . . . 0.0 110.214 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -107.43 103.66 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 76.5 m-85 -90.03 103.52 16.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 46.3 mt -98.23 98.26 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.805 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 48.1 mt -85.27 90.63 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 46.6 t -60.37 -64.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -175.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.6 m -137.31 159.06 43.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.354 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.5 174.09 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.309 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -83.08 -5.8 59.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.53 175.23 9.78 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -88.59 -7.81 55.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.097 0.475 . . . . 0.0 110.07 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -127.97 122.36 32.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.788 175.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.86 150.44 28.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.5 p -142.64 133.81 26.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.881 0.372 . . . . 0.0 111.759 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.64 147.01 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 58.7 t-80 -130.18 -50.48 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.079 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 m -115.32 105.32 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.111 0.481 . . . . 0.0 111.264 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.838 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -116.81 90.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 40.0 m -90.69 129.01 36.83 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.662 -170.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.35 104.79 14.58 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.931 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 18.1 mt-10 -94.43 124.25 38.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.764 0.792 . . . . 0.0 110.345 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 176.12 -148.8 9.44 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.627 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.66 155.37 40.95 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.556 0.678 . . . . 0.0 111.535 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.5 m -71.81 138.27 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.251 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.82 -48.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 t -137.28 120.85 17.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.354 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -92.65 136.33 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.825 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -72.19 -5.66 37.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.866 0.365 . . . . 0.0 111.346 179.177 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.3 m -79.46 9.26 5.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.766 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.66 178.039 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.01 25.72 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.961 -175.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -147.91 113.32 5.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 111.098 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.521 HG23 ' HG ' ' A' ' 6' ' ' LEU . 14.3 tt -124.54 154.54 32.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.89 174.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.12 86.23 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.503 0.668 . . . . 0.0 111.139 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 48.0 mt -79.98 10.92 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.432 -175.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 131' ' ' VAL . 46.0 t -94.58 -9.7 34.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.534 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.46 139.93 39.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 111.694 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' HD12 ' A' ' 31' ' ' ILE . 9.4 p -65.88 -18.78 65.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.159 174.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -71.78 -21.85 61.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.697 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.67 -19.48 27.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.878 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.38 7.65 13.85 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.345 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 m -76.29 123.41 25.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.05 0.453 . . . . 0.0 110.648 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -125.32 120.33 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.247 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -85.09 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.187 0.518 . . . . 0.0 111.191 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.548 ' CG1' ' HB ' ' A' ' 50' ' ' ILE . 3.9 pt -124.31 166.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.28 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' HB2' HG13 ' A' ' 16' ' ' ILE . 2.9 tp 69.02 14.6 8.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.95 0.5 . . . . 0.0 112.157 168.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.37 115.72 3.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.023 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -52.35 -51.13 60.52 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.48 0.487 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -111.87 139.1 47.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.716 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -137.01 105.69 5.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -97.83 142.14 29.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.324 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -70.3 -29.63 66.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.51 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.38 -8.25 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.608 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -143.54 76.96 15.64 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.493 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 60.5 Cg_endo -73.42 128.97 13.28 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.522 2.148 . . . . 0.0 112.858 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 25.8 Cg_exo -61.88 -23.43 75.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.983 2.456 . . . . 0.0 112.059 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.61 -10.59 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -86.03 -12.46 50.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.096 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.76 -39.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.165 0.507 . . . . 0.0 109.833 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 9' ' ' SER . 11.9 pt -83.27 8.07 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.42 -37.27 8.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.571 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 49.2 8.98 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.556 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 63.4 t30 -97.44 120.21 61.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.494 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 23.5 Cg_exo -65.1 -5.27 10.6 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.176 2.584 . . . . 0.0 113.099 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -95.91 -44.13 7.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 0.0 111.443 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -102.5 149.66 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.499 -172.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 129' ' ' HIS . 46.7 p90 -145.54 165.58 28.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.285 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 128' ' ' VAL . 57.7 t90 -105.62 144.14 32.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.002 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 164.12 30.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -116.82 160.21 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -87.07 26.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.139 0.495 . . . . 0.0 111.229 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.99 29.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.162 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.467 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 64.4 mtt -91.81 95.28 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.711 0.291 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 83.1 m-85 -107.04 129.86 23.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.397 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.891 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 3.2 Cg_exo -81.45 164.01 77.29 Favored 'Cis proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.599 -1.417 . . . . 0.0 111.695 -2.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.4 pt20 -127.42 138.85 53.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.152 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.09 144.98 48.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.979 0.418 . . . . 0.0 110.789 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -145.09 144.93 31.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.19 172.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HB ' ' CG1' ' A' ' 16' ' ' ILE . 72.5 mt -109.22 114.97 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.834 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -92.35 107.44 18.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.7 m -86.93 116.49 25.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.603 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 95.4 m-85 -77.91 -25.65 48.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 65.24 11.22 7.06 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.087 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 140' ' ' ASN . 52.6 pttt -156.28 163.85 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.42 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -89.35 109.07 20.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 137' ' ' VAL . 24.3 m -123.31 156.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 112.043 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 7.6 ttp85 -107.98 111.8 24.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.713 175.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 80.7 mt -92.78 133.04 35.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.37 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.7 -1.59 8.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.977 0.418 . . . . 0.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -166.44 137.91 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 89' ' ' ILE . 96.9 mt -119.96 125.94 49.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.55 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 90.4 t -101.54 111.87 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 105' ' ' ILE . 17.9 mm -106.72 104.02 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.092 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -103.99 102.35 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 128' ' ' VAL . 12.6 p -151.29 -179.87 7.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -174.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.861 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 19.7 m-85 -121.01 142.59 49.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.356 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 65.0 -96.78 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.754 0.659 . . . . 0.0 111.91 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.848 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.4 t 58.2 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.179 0.592 . . . . 0.0 110.659 -176.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.848 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -172.7 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.1 m -105.56 99.79 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.036 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD11 ' HD2' ' A' ' 116' ' ' PHE . 28.4 tp -103.67 101.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.492 0.663 . . . . 0.0 110.366 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 117' ' ' ILE . 52.9 tttp -90.64 106.94 18.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.572 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.581 HD12 HG13 ' A' ' 89' ' ' ILE . 36.7 mt -96.18 108.7 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.765 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 23.7 tt0 -111.62 136.63 50.57 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.53 155.48 22.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.229 0.538 . . . . 0.0 111.594 -172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 11.5 t -142.87 132.64 23.98 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 165.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -113.17 12.73 19.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 0.0 110.4 -177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -89.58 -164.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.697 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 2.7 ptmm? -107.15 -6.4 17.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.123 0.487 . . . . 0.0 110.938 178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 25.3 mp0 -97.81 146.29 31.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.62 32.65 0.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.645 2.23 . . . . 0.0 112.165 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.73 166.9 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.823 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.1 t70 63.17 105.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.053 0.845 . . . . 0.0 110.84 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.765 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 98.1 m-85 -126.31 156.46 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 112.328 -169.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -115.54 136.37 53.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.929 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -75.08 116.68 16.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.952 0.406 . . . . 0.0 110.491 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -90.93 -78.6 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.352 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.581 HG13 HD12 ' A' ' 74' ' ' ILE . 7.0 pt -141.24 109.96 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 111.368 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.24 105.34 17.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -112.88 144.66 42.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.98 0.419 . . . . 0.0 111.29 -170.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.2 p-10 -98.95 149.02 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.799 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 69' ' ' VAL . 82.8 mt -121.77 173.48 7.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.371 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.62 146.95 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -62.84 105.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -91.28 119.33 31.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.09 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -103.79 118.0 35.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.073 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.24 38.97 91.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.595 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.69 132.82 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.703 0.287 . . . . 0.0 111.236 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.861 ' HG ' ' HE1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -97.64 97.22 8.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.606 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -106.38 136.06 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.132 0.491 . . . . 0.0 111.091 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 102' ' ' ASN . 0.7 OUTLIER -97.03 115.61 27.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.04 175.16 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.07 130.02 37.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -107.76 99.78 9.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.195 -175.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 64' ' ' ILE . 3.1 mp -99.17 119.56 47.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.432 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.49 97.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.729 0.776 . . . . 0.0 109.634 173.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.9 112.33 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.471 -173.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 70.1 m80 -102.23 112.08 24.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 157.69 30.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.875 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 p -104.38 136.68 43.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.93 161.52 41.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.048 0.452 . . . . 0.0 111.526 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 p -122.09 -33.93 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.492 174.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 88.7 m-85 -125.29 126.62 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.549 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 30.4 mt -114.79 121.25 42.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.598 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 17.5 ttp180 -106.38 100.54 10.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.12 0.486 . . . . 0.0 110.004 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.547 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.7 m-85 -82.61 116.34 21.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.904 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CZ ' ' A' ' 115' ' ' ARG . 55.6 mt -114.4 107.32 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.8 mt -88.29 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.891 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -62.52 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.019 -173.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 69.2 m -155.6 165.89 35.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.848 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -132.07 168.89 17.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.89 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -70.2 -8.65 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.469 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -135.48 -172.18 3.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -95.83 -6.4 39.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.473 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.43 133.74 48.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.407 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -136.13 118.35 15.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 67' ' ' TYR . 15.0 m -142.08 122.69 14.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 39' ' ' TRP . 8.2 p -100.53 130.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 6.5 t60 -79.54 -59.19 2.85 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 m -160.27 159.61 31.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.952 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -128.0 170.95 16.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.671 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.8 m -149.72 128.8 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -106.05 107.67 18.78 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.41 123.7 40.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.253 0.549 . . . . 0.0 110.672 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 175.44 -144.41 7.21 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -137.97 154.83 49.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 0.0 111.32 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.511 ' HA ' HG12 ' A' ' 57' ' ' VAL . 59.4 t -83.43 112.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.942 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.68 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.036 0.445 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -152.97 116.34 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.575 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.635 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 89.8 m-20 -62.32 166.92 4.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.767 173.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.15 124.78 21.32 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 24.1 t -170.1 167.03 8.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.068 -174.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.247 0.943 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.307 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.747 0.308 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.607 ' HE ' ' HG2' ' A' ' 60' ' ' GLU . 31.5 ptt-85 -130.47 59.7 1.64 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 0.0 110.632 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -130.04 93.55 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.056 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 6.5 tt -134.52 128.05 50.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -63.48 106.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.514 0.673 . . . . 0.0 110.268 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.719 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 25.9 mt -84.88 -2.44 57.81 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.379 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.03 -14.37 25.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 0.0 111.376 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 65.5 mt -64.08 131.43 47.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.177 0.513 . . . . 0.0 112.095 -176.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 31' ' ' ILE . 18.6 p -64.81 -20.05 66.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.438 170.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 m -72.5 -23.61 61.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 50.1 mm-40 -95.35 9.74 38.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.26 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.79 9.73 59.54 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.647 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . 19.2 m -86.44 149.5 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.382 0.591 . . . . 0.0 110.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -132.99 151.04 52.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.32 110.72 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.847 0.832 . . . . 0.0 111.192 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.653 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.2 tt -113.02 154.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.417 -175.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER 74.5 20.22 2.53 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.901 0.48 . . . . 0.0 112.149 171.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.74 117.71 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.274 -0.266 . . . . 0.0 110.938 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -65.03 -61.23 2.28 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -103.94 102.42 12.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.033 0.444 . . . . 0.0 110.987 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -91.58 119.95 31.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 11.3 t70 -96.77 147.38 23.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.72 -20.51 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.063 0.459 . . . . 0.0 111.454 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -89.97 -30.14 18.0 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 97.6 m-70 -129.5 81.69 69.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.989 170.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 29.1 Cg_endo -62.48 155.24 59.2 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.066 2.511 . . . . 0.0 113.168 -173.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' O ' HG22 ' A' ' 30' ' ' ILE . 35.6 Cg_exo -58.33 -20.99 50.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.018 2.479 . . . . 0.0 112.233 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.47 -14.9 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.19 -12.5 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.464 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.3 tt -78.26 -27.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.551 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 9' ' ' SER . 4.9 pt -94.09 13.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 122.006 0.908 . . . . 0.0 109.596 174.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -109.6 -64.91 1.2 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.647 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.16 21.64 77.72 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 114.277 171.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -84.85 147.56 48.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 117.733 0.767 . . . . 0.0 110.189 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.77 16.19 0.28 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.321 2.68 . . . . 0.0 114.135 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -96.9 -41.07 8.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 t -151.52 141.0 21.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 42.2 p90 -145.84 170.0 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.059 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -87.54 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.029 0.442 . . . . 0.0 110.997 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -122.59 139.67 53.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 43' ' ' GLY . 7.3 m -76.55 139.28 40.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.115 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -77.76 -9.8 59.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 111.626 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 41' ' ' THR . . . 115.16 -3.24 22.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.405 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -78.84 97.57 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.082 0.468 . . . . 0.0 110.728 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.06 147.93 36.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.587 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.81 155.53 97.67 Favored 'Cis proline' 0 C--O 1.235 0.371 0 C-N-CA 122.995 -1.669 . . . . 0.0 112.09 -1.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 19.9 pt20 -106.97 144.06 34.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.138 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 115' ' ' ARG . 10.2 pt-20 -143.9 131.11 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.268 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 116' ' ' PHE . 37.7 p90 -145.17 143.65 30.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.653 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.6 mt -109.84 112.45 40.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.802 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.65 112.97 27.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.74 131.33 44.37 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.078 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.61 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 99.6 m-85 -72.42 -24.28 61.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.021 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 67.82 15.78 9.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.361 0.601 . . . . 0.0 110.275 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 18.8 pttm -162.57 155.86 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.599 -176.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -82.72 105.8 14.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 137' ' ' VAL . 33.8 m -119.12 169.35 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.048 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.2 ttt180 -129.09 117.02 20.15 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.735 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.0 mt -90.02 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.506 -175.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' HE ' ' A' ' 2' ' ' ARG . 14.5 tp10 -115.76 -26.89 7.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.332 0.587 . . . . 0.0 110.261 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -165.8 139.1 4.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.742 -174.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.2 mp -110.19 140.14 44.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.713 0.292 . . . . 0.0 110.419 177.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.93 95.48 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.5 mm -100.81 111.19 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.794 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -117.44 107.95 14.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.138 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.1 m -147.81 167.31 25.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.99 143.05 45.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.807 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 74.4 m-85 70.65 2.64 4.2 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 170.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.4 125.94 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.792 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.761 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 34.2 tt0 -111.39 -76.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.0 m -85.2 101.36 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.165 0.507 . . . . 0.0 110.344 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.738 HD11 ' HD1' ' A' ' 116' ' ' PHE . 17.8 tp -112.33 110.13 20.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.39 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 40.6 tttp -97.31 108.36 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.104 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.09 106.78 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.051 0.453 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 28.3 tt0 -95.89 135.7 37.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.156 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 10.4 ttmt -111.51 135.74 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.011 0.434 . . . . 0.0 112.019 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 51.0 m -136.88 127.57 27.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.191 170.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.34 16.45 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.386 0.612 . . . . 0.0 110.519 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -86.09 157.2 20.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.95 -4.2 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.373 0.606 . . . . 0.0 109.854 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 83' ' ' VAL . 31.4 mt-10 -117.44 154.56 50.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.485 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -75.07 43.05 0.92 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.758 2.306 . . . . 0.0 112.657 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 81' ' ' GLU . 30.9 m -129.02 169.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.24 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 63.45 106.76 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.061 0.851 . . . . 0.0 111.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 55.8 m-85 -115.8 127.32 54.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -127.67 128.62 45.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.35 110.07 5.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.59 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 14.5 t90 -84.43 -67.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.333 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.2 mt -134.84 143.1 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -139.02 115.24 10.34 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -120.58 161.57 21.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.518 . . . . 0.0 112.056 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.761 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 3.7 p30 -133.02 133.6 43.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.472 171.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.94 166.06 11.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.43 154.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.646 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -58.22 113.94 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 17.4 p -129.1 114.57 16.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.804 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -100.95 113.45 26.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.725 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 -18.52 34.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.8 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.47 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 77.4 mt-30 -92.47 112.12 23.95 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.47 101.85 4.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -88.36 89.45 7.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.52 109.08 3.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.91 104.21 16.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.723 0.773 . . . . 0.0 110.069 -171.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.1 pt-20 -90.06 102.55 15.26 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.299 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 38.8 mm -79.71 98.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.374 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 m -75.05 90.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.785 0.802 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.183 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.735 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.2 p80 -103.6 111.05 23.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.411 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.43 34.13 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.531 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -108.8 131.66 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.669 0.235 . . . . 0.0 110.379 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -157.15 154.19 28.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.702 0.287 . . . . 0.0 110.712 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 p -115.39 -34.98 4.76 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.223 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.705 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 39.1 m-85 -122.32 131.3 53.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.94 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 76' ' ' LYS . 69.1 mt -127.43 126.3 42.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.543 0.211 . . . . 0.0 110.442 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 50' ' ' ILE . 4.6 ttm-85 -106.3 110.65 22.95 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.738 ' HD1' HD11 ' A' ' 72' ' ' LEU . 67.9 m-85 -85.1 109.95 18.62 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.656 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 36.0 mt -106.03 102.43 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.965 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.495 ' HB ' ' CG ' ' A' ' 47' ' ' GLN . 52.1 mt -88.76 99.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.1 -46.71 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.984 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -127.09 127.35 44.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.746 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.36 159.83 30.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 66.8 m-85 -70.88 -30.37 66.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.534 . . . . 0.0 110.483 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.87 -172.27 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.516 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.7 m-70 -101.18 -4.58 26.96 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -122.91 122.31 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.816 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.7 137.89 41.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.928 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.419 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . 18.7 m -127.92 111.81 14.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -94.82 109.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.249 0.547 . . . . 0.0 110.073 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -73.05 -54.19 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -164.34 125.96 2.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.945 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.31 118.27 54.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.963 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 44.4 m -121.31 145.25 48.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.51 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -110.67 120.23 41.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.11 143.21 26.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.257 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 149.08 -154.46 25.81 Favored Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -143.28 163.68 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 117.206 0.503 . . . . 0.0 111.311 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 57' ' ' VAL . 31.5 t -89.38 114.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.072 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.81 -44.7 98.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p -164.97 126.42 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.13 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -76.97 140.17 40.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 168.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.47 108.74 1.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.967 0.413 . . . . 0.0 111.071 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 p -133.67 68.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.501 0.667 . . . . 0.0 110.557 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 -179.653 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -120.31 -161.79 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 68.17 61.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.663 0.602 . . . . 0.0 111.769 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 9.6 tt -95.39 133.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.27 91.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.084 0.468 . . . . 0.0 110.702 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD22 HG11 ' A' ' 57' ' ' VAL . 20.5 mt -82.91 8.1 13.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.072 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.755 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 24.7 p -94.24 -30.96 14.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.631 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.14 139.32 58.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -166.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -62.35 -21.66 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.278 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -70.7 -20.1 62.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.17 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -92.18 2.11 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.05 13.72 61.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.954 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.7 p -72.31 162.23 29.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.907 0.384 . . . . 0.0 110.324 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.558 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 10.1 tp10 -142.91 140.62 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.157 178.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.84 102.07 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.008 0.908 . . . . 0.0 109.935 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.3 tt -105.08 131.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.288 -176.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 6.3 tt 71.0 118.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.68 0.613 . . . . 0.0 111.029 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 48' ' ' GLU . . . -151.57 135.44 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.915 176.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -63.36 -28.95 70.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.542 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -120.99 139.61 53.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.817 0.341 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -156.83 151.48 25.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -145.44 157.22 44.05 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -86.81 -24.96 24.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.997 0.427 . . . . 0.0 111.104 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -92.5 -30.54 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.87 85.32 60.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.243 174.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.96 149.55 22.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.127 2.551 . . . . 0.0 112.991 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.696 ' HB3' ' CD1' ' A' ' 39' ' ' TRP . 56.9 Cg_endo -74.36 -5.49 17.0 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.88 2.387 . . . . 0.0 112.798 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.23 -12.75 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.227 0.537 . . . . 0.0 111.224 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -94.05 -3.22 51.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.316 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.4 tt -66.15 -35.35 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 111.309 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 10.7 pt -80.69 -26.91 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.644 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.9 -18.05 41.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.34 53.34 5.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.163 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -83.86 130.72 54.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.58 -42.52 4.92 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.709 2.273 . . . . 0.0 112.422 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.3 -60.55 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m -94.95 115.37 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.109 0.48 . . . . 0.0 110.877 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -133.86 174.74 10.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.241 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.696 ' CD1' ' HB3' ' A' ' 27' ' ' PRO . 33.9 t90 -93.28 121.76 34.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 110.862 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -124.0 170.33 10.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.04 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.806 ' HB ' ' HB2' ' A' ' 125' ' ' PHE . 3.3 m -104.87 147.44 27.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.837 0.351 . . . . 0.0 111.381 -173.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -83.83 -21.62 32.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.597 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.753 ' H ' HG22 ' A' ' 41' ' ' THR . . . 114.09 47.17 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.727 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.32 116.2 13.17 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.65 145.67 31.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -80.81 146.9 73.2 Favored 'Cis proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.298 -0.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 11.3 pt20 -107.09 114.06 27.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.259 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 9.4 pt-20 -124.38 158.78 31.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.004 -177.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 45.8 p90 -155.09 144.77 21.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.577 173.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.806 HG12 ' HG3' ' A' ' 115' ' ' ARG . 57.0 mt -108.9 124.33 65.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.884 0.373 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.02 120.32 54.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 14' ' ' GLU . 16.1 p -110.46 132.91 53.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.927 0.394 . . . . 0.0 110.72 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 55' ' ' LYS . 74.3 m-85 -82.02 -23.63 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.712 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.421 ' HB3' HD21 ' A' ' 141' ' ' LEU . 70.2 m-70 71.0 -17.73 0.29 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.586 0.754 . . . . 0.0 111.467 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 53' ' ' PHE . 42.7 pttt -125.95 161.31 27.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.33 107.77 16.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 6' ' ' LEU . 16.3 m -121.49 160.92 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.981 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 110' ' ' SER . 57.4 ttp85 -125.52 122.14 35.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -89.64 141.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -93.78 -50.28 5.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HG3' HH11 ' A' ' 61' ' ' ARG . 26.4 ptt85 -161.09 154.4 21.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.913 173.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.7 134.93 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.509 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.545 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 85.6 t -96.06 112.73 28.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.73 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HB2' ' H ' ' A' ' 130' ' ' SER . 77.8 mt-30 -101.64 102.17 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -152.92 147.03 25.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.4 t80 -128.89 159.32 36.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 73.9 m-85 72.92 -10.79 0.94 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.56 0.744 . . . . 0.0 111.714 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 45.8 t -70.81 137.54 23.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 24.6 tt0 -113.25 -74.02 0.64 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -95.87 103.64 15.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.756 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' A' ' 116' ' ' PHE . 22.3 tp -111.76 114.49 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.269 0.557 . . . . 0.0 110.905 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 20.7 ttmm -103.63 120.45 40.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 89' ' ' ILE . 62.5 mt -99.55 107.65 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -99.66 129.11 45.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.82 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 28.7 ttpp -107.58 139.58 41.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.965 0.412 . . . . 0.0 111.268 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 34.4 t -139.18 140.73 37.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.766 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 p -112.54 17.47 19.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.235 0.541 . . . . 0.0 110.235 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -85.31 156.64 20.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.558 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -82.27 -19.57 39.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.82 0.819 . . . . 0.0 108.87 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' A' ' 83' ' ' VAL . 5.7 mm-40 -105.92 157.27 35.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.971 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.59 51.21 1.46 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.967 2.445 . . . . 0.0 112.685 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 81' ' ' GLU . 29.4 m -138.36 173.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.773 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.4 t70 58.0 88.79 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 0.0 110.925 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.63 144.95 41.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.283 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.0 128.63 32.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.645 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -71.79 106.77 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.344 0.593 . . . . 0.0 110.485 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -92.26 -52.32 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.717 -174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 74' ' ' ILE . 61.9 mt -135.57 146.41 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -138.96 121.45 16.15 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -136.07 135.42 39.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.739 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.556 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.6 p-10 -104.54 129.67 52.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.68 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 20.2 tp -73.93 142.14 45.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.643 ' HB ' HE22 ' A' ' 101' ' ' GLN . 60.2 t -96.53 124.45 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -74.91 91.67 2.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.104 0.478 . . . . 0.0 110.786 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.9 p -81.31 114.58 20.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 168.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.26 121.51 20.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.335 -172.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.22 -0.29 87.24 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.441 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -129.2 129.41 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.16 116.62 20.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 171.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.643 HE22 ' HB ' ' A' ' 94' ' ' VAL . 34.8 tt0 -83.14 97.11 8.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.287 0.565 . . . . 0.0 111.221 -175.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.98 115.93 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.991 172.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.17 121.52 43.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.762 0.315 . . . . 0.0 111.018 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 104' ' ' GLU . 7.4 pt-20 -96.62 103.6 15.52 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.882 0.849 . . . . 0.0 109.332 171.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.37 100.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.131 -176.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -75.7 106.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.596 0.713 . . . . 0.0 109.945 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.485 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -147.62 117.93 7.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.467 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -99.29 107.39 19.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.95 164.11 37.6 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.987 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 20.2 m -108.14 143.62 36.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.478 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.71 160.17 36.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.9 p -119.57 -34.68 3.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.678 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 42.2 m-85 -124.6 127.59 47.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.031 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 76' ' ' LYS . 66.9 mt -121.42 124.5 44.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.806 ' HG3' HG12 ' A' ' 50' ' ' ILE . 3.5 ttm-85 -106.51 119.63 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 71.8 m-85 -94.29 102.01 13.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.745 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.498 HG13 ' HD2' ' A' ' 115' ' ' ARG . 4.4 mp -97.38 103.39 14.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.844 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.767 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 50.1 mt -85.84 96.13 4.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.8 -40.72 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.896 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 t -146.74 157.58 43.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 -177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.91 171.66 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -80.9 -16.34 53.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -134.92 -172.09 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.788 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.412 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 86.1 m-70 -74.39 -14.83 60.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.806 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 49.4 p90 -150.6 158.84 44.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.85 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' A' ' 69' ' ' VAL . . . -114.5 157.96 22.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -135.06 120.06 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.045 0.45 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 30' ' ' ILE . 8.1 p -104.34 136.62 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.74 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -98.27 -60.35 1.57 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 65' ' ' GLN . 15.0 m -148.73 133.63 18.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.278 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.73 142.75 41.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.755 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 26.6 p -143.44 136.4 27.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 110.884 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.63 102.71 12.15 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -98.03 104.02 16.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.479 0.657 . . . . 0.0 110.635 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -130.63 1.6 Allowed Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.326 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 p -144.55 154.98 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 132.04 39.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.961 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.24 -57.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p -139.51 146.18 39.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.14 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -100.18 179.17 4.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.731 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 54' ' ' HIS . 78.9 mt -66.84 153.26 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.112 0.482 . . . . 0.0 111.358 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.4 t -143.31 110.41 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.69 -0.672 . . . . 0.0 110.793 -178.042 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mmt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 136' ' ' THR . 12.1 ptm180 -84.08 15.17 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.106 0.479 . . . . 0.0 111.325 -174.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -129.07 91.93 3.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.198 0.523 . . . . 0.0 109.863 171.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 10.5 tt -120.25 121.09 64.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 168.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.44 94.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.138 0.97 . . . . 0.0 110.504 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 14.6 mt -79.12 11.22 2.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.831 -168.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.695 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 39.7 t -94.58 -12.11 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.185 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 61.1 mt -74.07 140.48 45.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 0.0 111.66 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.587 ' HB2' HG13 ' A' ' 31' ' ' ILE . 18.8 t -68.42 -19.42 64.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.523 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -90.52 -9.23 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.545 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 7.1 tm-20 -89.57 -24.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.187 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.18 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.973 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.0 m -98.68 150.71 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.665 0.269 . . . . 0.0 110.441 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.53 150.48 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.331 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 p -97.46 136.24 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.191 0.52 . . . . 0.0 110.093 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 50' ' ' ILE . 5.3 tt -135.82 134.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.337 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.4 tt 69.45 99.7 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.681 0.613 . . . . 0.0 111.005 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.45 119.16 25.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.3 m -56.96 -56.87 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.046 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -98.03 144.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.527 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -158.12 131.26 7.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.995 0.426 . . . . 0.0 110.791 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.832 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 12.2 t70 -101.58 155.16 18.26 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 172.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -78.78 -23.28 45.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.783 0.325 . . . . 0.0 110.894 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -107.08 -2.4 21.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 0.0 110.078 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.832 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 32.0 m170 -128.0 76.89 77.25 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.033 172.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.526 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 55.5 Cg_endo -88.35 137.58 3.68 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.716 2.278 . . . . 0.0 112.572 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.526 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.08 -17.58 45.74 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 C-N-CA 123.393 2.728 . . . . 0.0 113.711 -172.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -66.15 -14.48 61.91 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.176 -0.328 . . . . 0.0 111.716 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.12 -2.65 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 HG23 ' A' ' 31' ' ' ILE . 8.1 tt -62.49 -35.64 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 111.544 -174.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 25.2 pt -87.93 -18.46 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.298 -172.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -89.77 -15.41 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 0.0 110.545 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 52.86 7.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.144 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -103.33 112.75 65.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.46 -16.84 52.43 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.34 2.693 . . . . 0.0 112.979 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.92 -48.85 80.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.456 . . . . 0.0 110.509 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -116.39 115.48 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.0 142.77 34.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -96.19 113.65 25.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -126.09 138.8 53.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.78 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 43' ' ' GLY . 55.9 m -85.25 132.53 34.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.254 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -77.85 8.67 4.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.275 -175.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 41' ' ' THR . . . 102.3 25.47 7.82 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.258 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.61 101.79 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 83.0 m-85 -106.85 138.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.265 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 84.2 Cg_endo -85.7 163.74 57.59 Favored 'Cis proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.364 -1.515 . . . . 0.0 112.608 0.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG2' HG21 ' A' ' 41' ' ' THR . 27.8 mt-30 -107.12 111.73 24.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.359 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.52 125.35 46.6 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.265 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.616 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 30.4 p90 -139.28 140.17 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.883 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HB ' HG23 ' A' ' 16' ' ' ILE . 69.8 mt -111.52 135.77 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.44 117.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.85 127.65 51.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 96.4 m-85 -81.15 -20.73 40.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.309 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.446 ' O ' HD21 ' A' ' 141' ' ' LEU . 23.5 m-70 68.68 6.64 5.61 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 139' ' ' SER . 40.1 pttt -154.27 179.7 8.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.14 -171.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 42.6 m-70 -101.49 110.94 23.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -123.8 148.82 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 111.676 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.897 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.407 HD13 HD11 ' A' ' 114' ' ' LEU . 69.5 mt -89.6 123.42 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.12 -14.77 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.16 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -170.08 156.06 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -133.28 136.8 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.665 0.269 . . . . 0.0 110.696 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 46.5 t -103.45 109.0 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.864 175.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 19.3 mm -113.11 103.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -117.32 102.19 9.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 m -140.75 167.24 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -95.3 123.73 38.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.85 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.063 0.852 . . . . 0.0 112.232 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.905 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.9 t 56.33 -160.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.905 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -174.22 -77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -108.35 103.42 12.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.854 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.1 tp -103.41 102.21 12.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.231 0.538 . . . . 0.0 110.246 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.612 ' HZ1' ' HG2' ' A' ' 87' ' ' GLN . 51.9 tttp -96.92 109.9 22.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.669 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -104.65 117.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.925 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -95.56 142.02 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 176.017 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 78.6 tttt -106.71 134.45 49.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.048 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.504 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 31.3 t -142.1 143.34 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.854 0.359 . . . . 0.0 110.191 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m -128.72 23.44 5.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.592 0.711 . . . . 0.0 109.46 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -77.33 178.07 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.885 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -79.65 -31.1 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 109.724 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.657 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 31.3 mt-10 -119.27 168.94 8.94 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.266 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.657 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 56.6 Cg_endo -70.86 46.46 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.003 2.469 . . . . 0.0 112.598 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.74 160.64 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.156 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 61.55 93.1 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.546 0.689 . . . . 0.0 111.126 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 77.5 m-85 -116.35 167.96 10.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.04 139.34 34.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.612 ' HG2' ' HZ1' ' A' ' 73' ' ' LYS . 18.9 mt-30 -63.28 108.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.352 0.407 . . . . 0.0 110.25 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 18.3 t90 -97.11 -65.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.04 -173.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.7 mt -138.11 108.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 52.4 mt-10 -106.66 97.09 6.93 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -103.34 161.29 13.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.614 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.13 114.51 27.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.548 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 82.9 mt -103.43 121.99 43.95 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.27 154.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.211 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.505 ' HB2' ' CB ' ' A' ' 122' ' ' PHE . 13.5 t60 -62.69 102.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.273 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 p -113.2 111.74 22.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.515 0.674 . . . . 0.0 111.158 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -104.41 132.68 50.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.79 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.29 9.94 73.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.175 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -140.14 129.12 23.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 110.405 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.68 116.24 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.04 86.08 7.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.218 0.533 . . . . 0.0 109.743 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 96.44 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.862 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 8.6 tp10 -92.14 120.46 32.75 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.29 99.44 9.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.281 0.562 . . . . 0.0 109.791 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 58.8 mt -86.37 106.75 15.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.795 -176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.17 102.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -144.48 153.05 41.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.35 126.02 53.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.151 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.68 131.8 2.46 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.819 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.9 m -90.65 108.44 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.47 52.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 111.713 -173.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.6 p -108.09 -27.69 9.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.557 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.3 m-85 -133.76 128.11 34.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.078 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.407 HD11 HD13 ' A' ' 59' ' ' ILE . 50.3 mt -114.76 129.82 56.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.557 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 64.3 ttt180 -110.85 110.12 20.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.639 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HD2' HD11 ' A' ' 72' ' ' LEU . 45.3 m-85 -96.6 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.319 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 48.4 mt -114.23 102.12 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.803 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.6 mt -81.74 94.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 48.1 t -58.59 -44.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -175.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 t -159.06 179.35 9.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.251 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . . . -142.16 158.09 44.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CB ' ' HB2' ' A' ' 95' ' ' HIS . 63.0 m-85 -74.66 -8.75 57.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.106 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.6 162.84 31.58 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -64.52 -29.14 70.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.702 0.287 . . . . 0.0 111.304 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -112.35 136.84 51.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.218 0.532 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.95 119.39 20.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -120.15 121.46 38.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.67 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 30' ' ' ILE . 3.4 p -84.83 116.62 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 171.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -97.55 -28.05 14.13 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.191 -172.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -169.09 120.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.1 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 16.6 m -128.61 144.06 39.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 33.1 m -150.51 144.1 25.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.574 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.81 123.49 48.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -104.6 147.48 27.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.055 0.455 . . . . 0.0 110.473 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.69 -141.97 9.17 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.625 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -149.79 144.35 25.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.856 0.36 . . . . 0.0 111.88 -178.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.553 HG11 ' HB2' ' A' ' 140' ' ' ASN . 21.7 t -79.43 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.132 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 39.9 t -94.78 -37.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.553 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 14.6 m -140.29 114.23 8.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.772 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.553 ' HB2' HG11 ' A' ' 137' ' ' VAL . 61.6 t30 -116.17 158.18 23.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 -176.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.53 HD22 ' H ' ' A' ' 141' ' ' LEU . 2.0 mm? -73.78 -56.95 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 0.0 110.03 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.7 p -73.58 103.31 4.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.18 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.41 -177.786 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' SD ' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 60' ' ' GLU . 37.5 ttt180 -62.7 -20.2 64.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.856 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 6.9 pttp -128.28 81.14 2.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.155 0.978 . . . . 0.0 111.031 175.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 135' ' ' GLY . 6.5 tt -95.28 145.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.359 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.37 96.08 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.453 0.644 . . . . 0.0 110.535 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 16.9 mt -84.52 11.07 9.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.174 -173.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 23.6 p -91.83 -10.01 41.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 98.6 mt -68.3 137.23 54.52 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.379 0.609 . . . . 0.0 111.682 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.644 ' HB3' HD12 ' A' ' 31' ' ' ILE . 11.6 p -63.98 -21.95 66.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.403 171.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -74.87 -12.07 60.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.163 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -95.44 1.53 54.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.94 45.24 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.657 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 19.9 m -98.11 117.38 32.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.824 0.345 . . . . 0.0 110.143 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -103.38 144.44 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.787 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 51' ' ' ILE . 14.7 m -89.95 133.27 32.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.814 172.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 17' ' ' LEU . 14.2 tt -131.3 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' N ' HG12 ' A' ' 16' ' ' ILE . 7.0 tp 72.24 -87.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.226 0.61 . . . . 0.0 110.219 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.75 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.819 0.699 . . . . 0.0 111.846 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -57.86 -26.9 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.5 t -151.94 95.38 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 110.31 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.6 t -94.37 109.23 21.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 15.5 t70 -95.99 149.27 21.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.104 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -59.1 -41.12 87.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.663 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -107.68 3.81 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.437 0.637 . . . . 0.0 110.605 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 56.6 m-70 -132.87 72.68 76.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 96.1 Cg_endo -95.38 149.64 1.53 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.99 2.46 . . . . 0.0 113.452 -173.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 5.3 Cg_exo -75.92 1.88 7.68 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.198 2.599 . . . . 0.0 111.986 176.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.62 -37.87 89.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.822 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -80.76 2.0 28.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.801 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 129' ' ' HIS . 68.2 mt -79.62 -27.74 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.876 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 9' ' ' SER . 17.4 pt -108.98 -4.92 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.266 -175.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 34' ' ' ASN . 2.0 p-10 -97.66 -26.15 14.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.504 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.39 15.18 81.34 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.914 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 87.4 m-20 -95.12 140.87 22.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.619 0.21 . . . . 0.0 110.756 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 9.1 Cg_exo -72.91 19.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.458 2.772 . . . . 0.0 112.808 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ASN . 8.2 tp10 -61.75 -68.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 110.812 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 38' ' ' PHE . 5.1 m -138.8 176.85 8.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.437 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.637 ' H ' HG22 ' A' ' 37' ' ' THR . 43.3 p90 -141.37 155.43 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.704 0.288 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.521 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.9 t90 -90.8 109.88 21.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 11.4 t -109.24 144.46 37.33 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 8.8 p -76.36 146.24 38.91 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.024 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -8.79 57.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.551 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.39 15.88 28.74 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.117 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.2 ttt -105.72 74.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.99 144.39 92.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.02 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.647 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 87.9 Cg_endo -88.47 152.19 33.62 Favored 'Cis proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.79 -0.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 53.0 mt-30 -128.5 131.33 48.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.33 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.5 166.47 17.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.55 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.49 150.8 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.651 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.5 mt -118.19 137.67 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 -176.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 HG12 ' A' ' 15' ' ' VAL . 64.6 mt -121.13 130.89 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 13' ' ' SER . 17.0 p -108.55 124.02 49.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.56 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 96.3 m-85 -75.04 -16.6 60.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 72.73 2.03 4.21 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.101 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -159.7 168.84 25.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.917 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -84.86 108.14 17.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 110.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 m -114.59 151.0 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.737 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.524 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 30.0 ttm180 -99.23 114.88 27.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.0 mt -89.59 125.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.153 0.502 . . . . 0.0 110.043 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CD ' HH21 ' A' ' 2' ' ' ARG . 3.4 tp10 -102.15 -36.03 8.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.887 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.748 ' HD2' ' HB3' ' A' ' 104' ' ' GLU . 45.7 ttp180 -163.39 149.57 11.87 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.331 -176.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.37 121.53 41.35 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.85 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 87.3 t -91.36 100.33 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.582 HG23 HG12 ' A' ' 131' ' ' VAL . 31.0 mm -94.27 109.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.619 ' HG2' ' HB3' ' A' ' 102' ' ' ASN . 44.8 mt-30 -95.79 102.16 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.852 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 m -144.4 166.33 25.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.072 0.463 . . . . 0.0 111.002 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -135.32 117.2 15.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HD1' ' HB2' ' A' ' 122' ' ' PHE . 30.3 m-85 57.45 87.16 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.89 0.744 . . . . 0.0 112.793 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 70' ' ' GLN . 1.4 t -118.67 -165.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.611 ' H ' HG12 ' A' ' 69' ' ' VAL . 43.1 tt0 -163.37 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 16.6 m -85.25 94.26 8.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.427 0.632 . . . . 0.0 109.988 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD11 ' HD2' ' A' ' 116' ' ' PHE . 15.7 tp -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.751 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 90' ' ' GLU . 62.1 tttm -99.45 109.47 22.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.75 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.6 mt -97.6 113.62 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.95 0.405 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' CB ' ' HB3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -95.77 142.44 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.864 177.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 34.4 ttpt -125.83 139.82 53.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.508 -177.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 22.8 t -141.42 143.85 34.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.862 0.363 . . . . 0.0 110.358 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -110.68 14.44 22.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.563 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 t -84.6 167.84 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 8.2 mtpm? -87.09 -14.47 41.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 109.943 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.17 150.18 36.48 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.995 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.08 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.586 2.191 . . . . 0.0 112.431 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.98 160.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.8 t70 64.43 101.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.135 0.897 . . . . 0.0 111.282 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 94.4 m-85 -127.24 144.43 51.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.369 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -78.48 119.46 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.201 0.524 . . . . 0.0 109.653 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -97.55 -69.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.643 HG22 ' HD3' ' A' ' 91' ' ' LYS . 4.6 mt -137.63 97.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.977 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.747 ' HB3' ' HG3' ' A' ' 73' ' ' LYS . 9.0 pt-20 -104.9 108.39 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 174.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.643 ' HD3' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -155.44 160.56 40.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.719 -173.327 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.579 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 6.2 p-10 -118.24 95.99 5.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.654 0.74 . . . . 0.0 110.926 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.407 ' HG ' ' CG ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -126.15 94.08 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.884 178.418 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.539 HG21 ' C ' ' A' ' 69' ' ' VAL . 59.5 t -136.72 98.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.139 0.495 . . . . 0.0 111.235 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.509 ' H ' ' CD2' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -111.87 90.78 3.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.135 171.218 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 101' ' ' GLN . 50.8 p -131.87 109.23 9.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.15 100.47 10.06 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.732 168.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.11 36.83 62.13 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.519 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -140.14 136.41 33.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.998 0.399 . . . . 0.0 111.658 -169.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.94 101.84 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.472 ' HB2' HG22 ' A' ' 96' ' ' THR . 26.1 tp60 -95.48 110.24 22.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 111.173 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -94.93 99.7 11.69 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 166.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.1 135.12 34.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.593 -169.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 43.5 mt-10 -94.62 99.61 11.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.72 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.57 103.83 13.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.884 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.16 96.49 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.043 0.449 . . . . 0.0 110.13 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.41 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -98.93 125.86 44.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.387 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 136.47 4.15 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.924 176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 p -92.65 132.86 36.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -154.42 158.64 40.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.191 0.519 . . . . 0.0 112.098 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.2 p -117.78 -34.25 4.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.515 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -126.03 128.27 47.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.164 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 28.2 mt -114.82 130.96 56.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 173.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 63.3 ttt180 -113.49 104.72 12.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' HD2' HD11 ' A' ' 72' ' ' LEU . 56.8 m-85 -90.62 103.88 16.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.781 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.4 mt -99.81 106.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.291 178.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.49 101.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.647 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 47.4 t -73.14 -57.26 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.589 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -138.16 167.23 22.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.05 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.84 160.23 40.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' A' ' 68' ' ' PHE . 3.6 m-30 -60.38 -30.04 69.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.992 0.425 . . . . 0.0 110.796 177.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -122.65 -175.7 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.828 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -80.55 -22.32 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.849 0.356 . . . . 0.0 110.451 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.27 122.33 44.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.981 0.42 . . . . 0.0 110.839 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.06 116.79 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 14.9 m -112.12 137.08 50.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.894 -175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.7 p -126.91 139.75 50.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 0.0 110.117 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 16.6 t-80 -97.84 -56.62 2.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 47.5 t -164.55 127.89 2.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.716 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.582 HG12 HG23 ' A' ' 64' ' ' ILE . 7.0 m -98.28 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.332 0.587 . . . . 0.0 109.441 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.9 m -90.64 132.35 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.589 -172.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.53 114.39 28.53 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 46.6 mt-10 -93.98 130.76 39.97 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.59 -162.16 35.95 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.18 148.74 48.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 117.17 0.485 . . . . 0.0 109.969 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.51 134.99 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.34 -51.17 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.496 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -152.43 126.18 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -80.13 127.39 32.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.472 HD11 ' HE2' ' A' ' 80' ' ' LYS . 7.7 tt -79.26 92.84 5.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.428 0.632 . . . . 0.0 109.833 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 p -102.21 19.29 18.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.302 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.312 179.256 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.627 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 22.4 ptp . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.545 ' HA ' ' CG2' ' A' ' 136' ' ' THR . 7.8 ptm180 -80.05 0.64 30.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.616 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' H ' ' HG3' ' A' ' 1' ' ' MET . 27.5 mtpp -125.28 105.61 9.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.07 0.462 . . . . 0.0 110.375 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 10.4 tt -155.45 131.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.404 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 132' ' ' SER . 19.7 m-20 -74.62 98.04 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.402 0.62 . . . . 0.0 109.992 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 50.0 mt -79.84 -1.31 38.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.886 -171.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 99.3 m -91.8 -3.48 56.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.669 0.271 . . . . 0.0 111.276 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.655 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 63.1 mt -68.64 148.03 51.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 111.886 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -62.51 -25.15 67.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.667 172.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -69.85 -20.41 63.42 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.423 0.63 . . . . 0.0 110.025 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 29.3 mm-40 -90.41 -3.89 57.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.936 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.62 4.9 82.47 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 m -83.61 119.6 24.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' A' ' 31' ' ' ILE . 45.5 mt-10 -110.13 155.2 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -93.79 137.31 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.868 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.556 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.1 tt -141.56 131.16 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.542 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 69.78 100.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.604 175.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.81 131.43 46.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.245 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.646 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 18.5 m -72.09 -34.62 68.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 0.0 111.043 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -113.76 131.19 56.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 m -145.02 136.92 25.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.68 148.45 49.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.122 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.81 -25.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 111.177 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -94.52 -23.18 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.417 0.627 . . . . 0.0 109.683 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.15 78.06 59.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.195 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 5.9 Cg_exo -77.73 129.35 9.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.985 2.457 . . . . 0.0 112.705 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 11.1 Cg_exo -70.88 -5.8 17.71 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.185 2.59 . . . . 0.0 111.844 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.04 -29.71 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.649 ' HB2' HG21 ' A' ' 37' ' ' THR . 47.7 m-80 -95.7 1.78 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.899 -174.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 tt -63.7 -28.59 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 110.695 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 20.3 pt -86.6 -16.75 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.88 -20.08 39.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.724 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.1 47.04 86.07 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.237 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.36 117.32 67.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.22 . . . . 0.0 110.476 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.13 -16.56 55.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.872 2.381 . . . . 0.0 112.752 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -88.12 -2.44 58.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 29' ' ' ASN . 38.5 m -117.95 115.67 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -120.45 126.83 51.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.713 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.565 ' HE3' HG12 ' A' ' 128' ' ' VAL . 72.3 t90 -97.02 132.35 42.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.162 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 t -127.13 156.04 42.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.621 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.563 HG22 HE21 ' A' ' 47' ' ' GLN . 62.3 p -84.29 149.46 26.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 p -91.4 16.63 9.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.045 0.45 . . . . 0.0 111.023 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.12 -1.76 88.43 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.261 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.1 ttt -92.33 95.7 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 97.3 m-85 -106.82 154.79 39.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.666 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 43.5 Cg_endo -68.07 154.64 88.13 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.814 -1.328 . . . . 0.0 112.897 1.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.646 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 6.8 tp-100 -110.44 111.98 23.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.304 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.5 pt-20 -118.19 140.04 50.39 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.965 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 41.5 p90 -150.09 139.62 21.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.562 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' HG23 ' A' ' 16' ' ' ILE . 53.5 mt -109.56 134.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 111.048 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.6 mt -113.77 121.66 66.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.77 118.78 37.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 111.465 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -72.13 -27.39 62.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.532 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 68.56 6.44 5.44 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.442 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.92 ' HB2' ' HA ' ' A' ' 140' ' ' ASN . 58.8 pttt -150.1 173.72 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.864 0.364 . . . . 0.0 111.251 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -90.03 105.62 17.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.701 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 ' HB ' HD13 ' A' ' 6' ' ' LEU . 26.7 m -124.66 142.57 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.632 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -102.95 115.73 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 93.3 mt -89.73 136.79 22.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.034 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HG2' ' CE1' ' A' ' 108' ' ' HIS . 5.8 tm-20 -113.73 -30.9 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD3' ' CD ' ' A' ' 104' ' ' GLU . 5.1 ttm180 -154.7 146.78 23.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.929 -172.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 79.1 mt -113.37 126.51 55.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.8 t -104.8 98.55 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.695 HG23 HG22 ' A' ' 131' ' ' VAL . 14.4 mt -116.63 121.74 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 0.0 111.52 -174.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' OE1' HD11 ' A' ' 100' ' ' LEU . 8.8 tt0 -111.68 102.36 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.951 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.889 ' HB3' HG23 ' A' ' 128' ' ' VAL . 29.9 p -160.27 147.51 16.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.394 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.653 ' HE2' HD22 ' A' ' 100' ' ' LEU . 2.1 m-85 -125.78 158.95 33.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.664 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.616 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 66.5 m-85 72.37 -2.68 2.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.202 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.44 127.43 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 58.3 tt0 -104.09 -72.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.785 0.326 . . . . 0.0 111.046 -176.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 103.1 12.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 111.045 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 116' ' ' PHE . 36.3 tp -117.37 102.12 8.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.737 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.65 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -89.95 120.54 31.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 109.741 179.006 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 HG13 ' A' ' 89' ' ' ILE . 26.5 mt -93.26 117.34 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.912 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 29.5 tt0 -111.6 135.97 51.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.105 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.1 ptpp? -106.76 153.77 21.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.408 . . . . 0.0 111.503 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.774 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.3 t -143.16 142.15 31.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 169.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 21.34 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.393 0.616 . . . . 0.0 110.165 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.3 t -92.28 179.98 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.8 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 11.8 ptmm? -95.01 -14.6 24.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 0.0 110.224 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 10.2 mp0 -102.71 156.0 35.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.582 173.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.28 46.24 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.72 2.28 . . . . 0.0 112.192 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.73 -177.99 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.39 77.14 0.23 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.485 0.659 . . . . 0.0 110.311 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.479 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 25.3 m-85 -106.51 131.54 53.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.362 -176.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 33.7 tt0 -119.46 119.33 33.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.128 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -57.16 132.17 52.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.413 . . . . 0.0 110.426 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -102.4 -71.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.75 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -144.47 125.05 8.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.707 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 42.9 tt0 -94.88 109.11 21.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 105' ' ' ILE . 19.5 mmmt -100.57 119.22 38.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.319 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 9.1 p-10 -95.61 112.49 24.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.883 172.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.83 144.26 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -91.81 148.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.33 134.55 34.81 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.936 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.83 123.05 39.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.512 168.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.82 121.18 41.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.913 -171.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.25 -27.58 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.121 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -100.38 135.54 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.653 HD22 ' HE2' ' A' ' 67' ' ' TYR . 2.4 tm? -100.99 112.8 25.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.83 0.347 . . . . 0.0 110.099 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -129.21 145.33 51.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -99.71 142.01 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -92.3 110.56 21.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.191 0.519 . . . . 0.0 109.776 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' CD ' ' HD3' ' A' ' 61' ' ' ARG . 34.9 tt0 -88.24 108.56 19.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.624 176.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' HG3' ' A' ' 91' ' ' LYS . 61.9 mt -102.51 109.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.886 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.24 106.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.456 0.646 . . . . 0.0 110.077 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.22 109.54 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.461 -171.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 15.6 m-70 -103.28 110.21 22.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.22 157.69 30.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.741 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.9 m -104.56 123.39 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.95 149.0 32.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.5 p -106.13 -30.25 9.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.889 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 48.3 m-85 -127.38 129.39 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.65 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.3 mt -122.03 120.01 33.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.575 0.226 . . . . 0.0 110.567 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -106.76 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.935 0.398 . . . . 0.0 110.451 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 72' ' ' LEU . 86.8 m-85 -89.79 117.05 28.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.653 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.65 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 55.9 mt -113.78 102.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.892 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 58.8 mt -86.08 111.58 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -77.54 -54.66 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.441 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -139.02 163.96 31.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -129.89 170.73 13.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.203 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 70.4 m-85 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.191 0.519 . . . . 0.0 109.631 176.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -120.54 -172.37 2.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -93.4 -7.14 45.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 110.294 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.65 122.18 34.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.491 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.48 155.76 34.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.952 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 m -142.85 141.15 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.889 HG23 ' HB3' ' A' ' 66' ' ' SER . 7.7 p -116.97 141.74 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -106.53 -32.69 7.96 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.877 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -168.19 136.5 2.29 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.778 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.695 HG22 HG23 ' A' ' 64' ' ' ILE . 82.4 t -134.81 113.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 48.8 p -130.54 151.33 51.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.893 0.377 . . . . 0.0 110.989 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -115.88 116.69 28.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 38.2 mt-10 -94.09 153.3 18.2 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.212 0.529 . . . . 0.0 110.546 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.25 -139.34 6.49 Favored Glycine 0 N--CA 1.437 -1.25 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.545 ' CG2' ' HA ' ' A' ' 2' ' ' ARG . 18.3 p -142.16 126.8 17.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.961 0.41 . . . . 0.0 111.055 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.37 131.85 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.972 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.21 -52.16 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.977 0.418 . . . . 0.0 110.554 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.2 m -154.66 169.45 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.92 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 3.2 m-20 -96.88 -88.66 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.909 0.385 . . . . 0.0 110.8 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.76 176.56 5.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.921 0.391 . . . . 0.0 110.786 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 23.0 t -145.62 103.6 3.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.543 -0.742 . . . . 0.0 110.507 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.422 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 16.0 ptt180 -80.77 20.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -177.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -138.87 132.8 31.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 0.0 110.895 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.454 HG23 ' HG ' ' A' ' 6' ' ' LEU . 8.6 tt -155.56 150.36 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.94 86.33 2.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 110.352 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 45.1 mt -77.0 -4.13 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.076 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 132' ' ' SER . 20.1 t -94.61 -3.11 50.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 71.3 mt -73.53 142.98 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 0.0 110.891 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB2' HD12 ' A' ' 31' ' ' ILE . 15.7 t -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -81.42 -11.38 59.27 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.279 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.42 25.51 7.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.268 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 16.9 m -126.01 120.31 29.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.53 164.61 15.04 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 51' ' ' ILE . 20.9 m -89.96 134.39 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 110.319 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 50' ' ' ILE . 10.2 tt -129.94 133.55 64.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.144 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 65.65 91.77 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.26 133.27 56.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.792 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 30.9 m -62.07 -41.9 98.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.444 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -128.48 139.67 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 110.694 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -149.0 135.46 19.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.728 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -121.75 158.98 27.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -86.39 -20.22 28.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.229 0.538 . . . . 0.0 109.996 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -88.17 -20.98 24.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.708 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -131.32 84.79 55.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.482 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.5 Cg_endo -85.01 140.33 7.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.081 2.521 . . . . 0.0 112.548 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 32.1 Cg_exo -60.99 -14.7 34.55 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.31 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.97 -31.45 65.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.006 0.431 . . . . 0.0 110.36 174.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.93 -43.37 77.32 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.421 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.9 mt -64.64 -54.91 24.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.616 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.3 pt -84.74 -5.97 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.32 -18.86 18.11 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.575 173.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 49.14 6.39 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.607 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 4.9 m-20 -95.48 120.56 63.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.759 -177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 5.7 Cg_exo -80.59 17.3 1.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.994 2.463 . . . . 0.0 112.421 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -81.62 -70.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -109.93 -170.71 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.33 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -143.86 153.19 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.438 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.59 ' HE3' HG12 ' A' ' 128' ' ' VAL . 88.9 t90 -92.16 121.98 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 t -122.16 157.32 31.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.997 0.427 . . . . 0.0 110.839 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.759 HG22 ' HG3' ' A' ' 47' ' ' GLN . 39.4 p -78.53 136.17 37.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.598 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -78.0 -8.01 57.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.699 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.48 -14.64 35.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.815 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.2 tpt -91.29 104.42 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.695 0.283 . . . . 0.0 110.279 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -95.75 156.31 37.49 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.421 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.0 Cg_endo -82.92 171.5 52.15 Favored 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.6 -1.417 . . . . 0.0 112.003 -1.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.759 ' HG3' HG22 ' A' ' 41' ' ' THR . 83.1 mm-40 -107.03 111.3 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.225 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.0 136.37 53.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 35.6 p90 -149.86 133.83 17.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.066 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.487 ' HB ' HG23 ' A' ' 16' ' ' ILE . 57.0 mt -100.13 142.07 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.021 -177.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 15' ' ' VAL . 36.3 mt -117.59 118.98 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' SER . 7.6 p -101.35 119.84 39.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.699 ' HE2' ' HB2' ' A' ' 114' ' ' LEU . 88.0 m-85 -85.2 -20.43 30.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 72.53 -17.15 0.4 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.142 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -136.91 -179.82 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 0.0 110.993 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -88.16 108.56 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HB ' HD13 ' A' ' 6' ' ' LEU . 28.8 m -114.76 143.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.156 0.503 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 3.0 tpt180 -92.56 105.76 17.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.668 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 69.1 mt -89.91 129.29 41.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' OE1' ' HD2' ' A' ' 2' ' ' ARG . 20.3 tt0 -123.57 -35.54 2.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.845 0.355 . . . . 0.0 110.577 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -140.16 148.17 41.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.622 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.8 mp -112.68 116.42 30.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.975 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.26 110.72 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.397 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 mm -112.2 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.321 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -105.84 102.23 11.69 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG23 ' A' ' 128' ' ' VAL . 14.9 p -154.38 177.36 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.92 -177.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.686 ' HD2' HD23 ' A' ' 100' ' ' LEU . 2.4 t80 -129.22 145.86 51.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.784 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 67.56 -100.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.334 0.653 . . . . 0.0 111.592 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.885 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.1 t 55.89 -168.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.849 -174.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.885 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.5 tt0 -170.11 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -109.62 102.99 11.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.146 0.498 . . . . 0.0 111.361 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.9 tp -114.16 109.86 19.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.624 ' HE3' HD12 ' A' ' 117' ' ' ILE . 41.2 pttt -102.14 142.63 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 0.0 109.943 176.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.937 HD12 HG13 ' A' ' 89' ' ' ILE . 39.9 mt -113.45 119.77 61.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.852 -176.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.986 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 51.0 mt-10 -105.94 132.59 51.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.504 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -114.53 143.73 44.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.208 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -143.05 141.79 31.39 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -107.81 11.43 28.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.908 0.385 . . . . 0.0 111.394 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.4 p -86.73 178.68 6.95 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.761 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.28 7.21 46.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 108.918 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.496 ' HB2' HG22 ' A' ' 83' ' ' VAL . 24.3 mt-10 -119.28 156.47 52.79 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.527 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.86 42.87 1.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.651 2.234 . . . . 0.0 112.191 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.7 m -126.17 148.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 111.726 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t70 58.36 92.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.026 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.986 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 79.2 m-85 -113.78 122.07 45.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.58 134.09 36.22 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.483 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.67 106.55 2.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.094 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -75.79 -67.83 0.63 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.104 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.937 HG13 HD12 ' A' ' 74' ' ' ILE . 5.1 pt -140.93 143.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.91 111.69 19.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -114.03 120.38 40.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 4.7 p-10 -97.89 132.76 43.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.77 145.01 25.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.229 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.33 122.44 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -62.85 139.93 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.453 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 2.2 p -117.81 112.6 20.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 172.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.73 103.23 12.86 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.986 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.37 -1.54 53.82 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.189 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.654 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 82.6 mt-30 -122.26 118.53 28.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.686 HD23 ' HD2' ' A' ' 67' ' ' TYR . 3.5 tm? -89.0 116.6 27.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 173.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -107.28 141.07 39.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.44 0.638 . . . . 0.0 112.139 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -102.43 102.22 12.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 165.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.23 143.06 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.035 0.445 . . . . 0.0 111.233 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.76 108.46 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.351 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 70.2 mt -91.57 113.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.994 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.99 105.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.345 0.593 . . . . 0.0 111.197 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.13 120.78 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.908 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.668 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.4 p80 -107.82 121.97 45.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.368 0.604 . . . . 0.0 110.758 -177.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.0 -174.09 35.89 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.651 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -126.19 129.32 48.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.56 121.31 9.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 m -78.03 -31.8 50.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.729 0.776 . . . . 0.0 109.13 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -124.45 124.63 42.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.274 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.699 ' HB2' ' HE2' ' A' ' 53' ' ' PHE . 1.8 tm? -114.7 108.99 17.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -106.39 112.88 26.08 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 111.586 -171.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -90.77 134.34 34.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.36 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' A' ' 73' ' ' LYS . 58.6 mt -130.68 106.44 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 111.137 176.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.4 101.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.815 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 45.7 t -67.8 -49.87 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.616 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 t -154.33 169.13 24.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.843 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.12 30.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.001 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -64.28 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.87 170.85 7.66 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.98 -16.28 55.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.09 0.471 . . . . 0.0 110.158 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -118.29 122.42 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.324 0.583 . . . . 0.0 110.949 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.68 148.1 38.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.025 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -141.48 133.77 28.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.59 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.6 p -113.49 148.87 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.494 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.476 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 9.2 t60 -106.31 -46.17 4.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.924 0.392 . . . . 0.0 110.349 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -171.05 152.71 3.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.77 146.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 64.7 m -136.44 145.04 44.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.27 117.18 33.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -93.93 135.3 35.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 163.59 -147.81 13.72 Favored Glycine 0 N--CA 1.437 -1.234 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 2' ' ' ARG . 7.7 p -138.47 139.55 38.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.504 0.192 . . . . 0.0 110.604 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.0 120.7 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 0.0 110.162 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.5 t -77.94 -51.88 17.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 0.0 110.381 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.3 p -163.64 164.26 24.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.154 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -91.36 -153.6 0.33 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.87 91.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 171.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.0 m -81.97 94.14 7.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.681 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.754 178.741 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 2' ' ' ARG . 68.9 mtt180 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 53.15 70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.3 0.572 . . . . 0.0 111.688 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.7 tt -103.25 158.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.252 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.61 ' HB3' HD13 ' A' ' 8' ' ' LEU . 57.6 m-20 -71.42 89.89 0.95 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.28 0.562 . . . . 0.0 111.069 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 26.0 mt -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.951 -172.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 31' ' ' ILE . 36.7 t -92.47 -4.06 54.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -168.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 5' ' ' ASP . 9.2 mp -91.38 158.26 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -174.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 31' ' ' ILE . 26.9 t -74.21 -21.3 59.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.437 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m -63.47 -24.54 67.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.677 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -99.5 7.7 45.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.806 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.73 30.82 34.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.179 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -118.47 116.02 25.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.853 0.326 . . . . 0.0 110.178 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -109.05 175.46 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.948 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.58 147.6 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 111.272 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.728 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.7 tt -145.09 163.22 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.666 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' HG12 ' A' ' 16' ' ' ILE . 1.0 OUTLIER 67.24 24.54 9.11 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.691 0.397 . . . . 0.0 112.006 169.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.12 106.49 2.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.786 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -56.34 -53.16 60.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.178 0.513 . . . . 0.0 110.812 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 45.0 t -108.84 105.2 14.66 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -125.12 117.82 24.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.125 0.488 . . . . 0.0 110.566 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 9.4 t0 -93.55 146.89 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.257 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.08 -22.84 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.784 -176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -102.92 -18.62 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.236 0.541 . . . . 0.0 110.204 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 57.4 m80 -111.04 74.61 1.01 Allowed Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.22 126.41 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.626 2.217 . . . . 0.0 113.614 -166.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.66 -16.48 19.39 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.361 2.707 . . . . 0.0 112.651 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.43 -22.83 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.611 0.243 . . . . 0.0 110.762 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 3.3 p30 -66.22 -27.44 67.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.68 -39.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 110.483 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 9' ' ' SER . 13.9 pt -96.83 11.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.518 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.0 t70 -104.98 -59.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.262 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.19 31.2 6.29 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.988 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -97.22 122.84 54.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 117.342 0.571 . . . . 0.0 110.359 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.13 -31.3 92.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.448 2.765 . . . . 0.0 113.623 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.96 -16.48 63.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 p -115.72 146.68 41.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.839 0.352 . . . . 0.0 111.561 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -154.13 161.24 42.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.796 ' HE3' HG12 ' A' ' 128' ' ' VAL . 77.4 t90 -100.08 121.59 41.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 t -125.4 147.72 49.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.71 146.57 37.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 -176.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.5 p -88.47 3.5 49.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 110.41 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.49 0.83 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.013 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.563 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 1.4 mpt? -112.43 96.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.807 -0.231 . . . . 0.0 110.853 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -106.99 128.66 25.65 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.14 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.783 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.7 Cg_exo -76.67 164.26 87.88 Favored 'Cis proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.488 -1.463 . . . . 0.0 112.043 -1.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.618 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 8.3 pt20 -117.76 113.76 22.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.29 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.9 pt-20 -124.8 153.55 42.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 111.156 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.82 155.44 25.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 16' ' ' ILE . 56.0 mt -113.19 140.35 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.934 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -109.21 118.39 56.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -93.8 109.38 21.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 91.9 m-85 -72.91 -29.03 62.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.015 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 65.99 13.11 8.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.564 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.5 pttm -158.26 163.67 37.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.105 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -88.25 107.47 18.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 55' ' ' LYS . 27.2 m -114.59 149.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 0.0 OUTLIER -101.9 107.74 19.0 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.93 127.47 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.387 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.26 -28.52 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.212 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.734 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 64.1 mtt180 -144.96 154.92 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.097 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.9 mp -118.53 113.97 22.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.9 107.57 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 131' ' ' VAL . 48.9 mt -119.07 118.28 57.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 100' ' ' LEU . 48.1 tt0 -113.5 102.2 10.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -140.53 170.96 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.749 0.309 . . . . 0.0 111.189 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -122.58 153.88 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 73.38 -23.55 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 167.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.04 135.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 122.8 0.44 . . . . 0.0 112.186 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -113.87 -68.37 0.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 p -106.14 108.99 20.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.032 0.444 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 tp -107.71 103.3 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.624 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 31.0 tttp -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.838 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.58 ' HB ' HG13 ' A' ' 89' ' ' ILE . 58.1 mt -93.12 116.76 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 35.1 tt0 -117.0 142.9 46.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 11.3 ptmm? -122.5 154.97 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 111.914 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 44.4 t -140.71 140.82 34.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.928 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -121.32 25.41 9.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.51 0.672 . . . . 0.0 109.562 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -84.16 -171.49 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.208 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.845 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 20.3 ptmt -102.88 -15.54 16.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.841 176.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.845 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 38.4 mt-10 -119.17 165.18 17.84 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -70.1 46.11 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.294 2.663 . . . . 0.0 112.277 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.1 m -143.45 -178.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 122.905 0.482 . . . . 0.0 110.117 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.9 t0 57.25 84.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.387 0.613 . . . . 0.0 111.552 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 68.3 m-85 -116.82 166.98 11.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.33 134.93 34.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.309 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -64.95 118.08 8.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.455 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 8.1 t90 -96.16 -68.93 0.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 74' ' ' ILE . 2.2 pt -144.82 95.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.297 0.57 . . . . 0.0 111.323 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.14 103.65 16.25 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -122.01 147.6 45.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.876 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.6 145.38 26.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.488 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 94' ' ' VAL . 5.1 tt -112.14 147.01 37.03 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.442 ' O ' HD23 ' A' ' 93' ' ' LEU . 68.0 t -81.47 132.66 30.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -57.05 106.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 101' ' ' GLN . 33.7 p -98.28 110.67 23.21 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.865 0.841 . . . . 0.0 112.058 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.58 101.18 10.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.667 -1.152 . . . . 0.0 110.111 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.94 21.71 78.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.223 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -125.52 117.81 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.023 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 100' ' ' LEU . 26.6 mt -74.62 97.63 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 175.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.673 ' HB2' HG21 ' A' ' 96' ' ' THR . 8.4 tp-100 -93.62 103.55 15.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.83 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -83.37 112.15 19.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.38 110.15 21.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.446 0.641 . . . . 0.0 111.2 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.25 94.29 8.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.177 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 67.5 mt -95.28 110.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 m -82.45 87.67 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.783 0.801 . . . . 0.0 110.512 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -124.71 122.81 38.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.292 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -109.28 110.55 21.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.355 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.11 160.42 34.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.79 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.4 m -100.88 135.06 42.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.85 43.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.195 0.521 . . . . 0.0 111.842 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.5 p -118.41 -28.61 5.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.856 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.545 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 80.3 m-85 -137.01 142.62 42.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.814 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 82.6 mt -129.13 130.73 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.512 ' HG3' HG12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -110.93 108.9 18.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 32.7 m-85 -88.95 109.75 20.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.079 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.785 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.2 mt -105.67 97.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.315 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.618 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 30.9 mt -85.1 96.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.783 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 36.1 t -65.94 -51.27 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.989 -173.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.2 m -146.2 164.12 33.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.464 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.97 165.83 25.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.397 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.61 -21.24 61.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 109.949 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.12 151.82 37.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.032 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -78.45 11.56 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.074 0.464 . . . . 0.0 111.445 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -133.42 122.39 23.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.0 134.18 55.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 11.6 p -132.14 125.83 32.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.395 0.616 . . . . 0.0 111.63 -176.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.796 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -97.15 131.89 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -104.36 -40.27 6.15 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.79 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -156.16 131.48 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.638 0.256 . . . . 0.0 110.623 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 64' ' ' ILE . 18.1 m -136.41 140.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.482 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 22.7 t -149.87 147.08 27.52 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.62 125.91 51.53 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 64.3 mt-10 -94.09 107.67 19.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.336 0.589 . . . . 0.0 110.404 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -174.73 -147.52 6.19 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.26 156.01 42.56 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 117.54 0.67 . . . . 0.0 110.846 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 57' ' ' VAL . 24.0 m -75.54 130.41 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.31 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.97 -41.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 110.421 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -178.711 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.604 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.9 ptp85 . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HA ' ' HB3' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -145.25 68.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.685 -0.806 . . . . 0.0 112.827 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tt -101.99 136.37 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -70.43 96.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.479 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.81 -8.02 59.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.941 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.0 m -92.97 -3.69 54.02 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.58 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 66.8 mt -65.93 137.23 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.166 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' SER . 16.8 m -66.31 -15.9 63.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.849 174.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -73.66 -23.9 59.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.583 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.8 -7.6 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.527 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.64 6.71 54.51 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.327 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' SER . 20.4 m -86.84 121.82 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.569 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -116.2 157.37 24.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -93.15 143.01 12.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.198 0.523 . . . . 0.0 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 50' ' ' ILE . 8.2 tt -139.6 130.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.468 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.2 tt 70.34 90.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.671 0.607 . . . . 0.0 110.38 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.6 130.02 54.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.2 m -53.58 -55.31 26.82 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -117.98 145.39 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -145.56 132.05 19.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.714 0.292 . . . . 0.0 110.326 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -116.46 154.53 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.356 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.68 -40.78 69.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.168 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.57 -33.49 31.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.977 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -129.92 81.52 68.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.907 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 Cg_endo -73.56 155.65 49.95 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.51 2.14 . . . . 0.0 111.854 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.58 -9.51 18.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.048 2.499 . . . . 0.0 112.922 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.02 -14.0 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 0.0 110.23 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.492 ' OD1' ' HD2' ' A' ' 26' ' ' PRO . 10.7 m120 -86.1 -1.66 57.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.292 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 130' ' ' SER . 67.3 mt -69.99 -23.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.729 0.776 . . . . 0.0 109.109 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 40.2 mt -107.96 -87.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.075 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 20.6 t70 69.27 -46.14 0.57 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.901 0.88 . . . . 0.0 113.101 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.57 -6.44 33.58 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 93.3 m-20 -121.17 113.16 32.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' OG ' ' A' ' 130' ' ' SER . 16.8 Cg_exo -68.2 -6.62 17.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.177 2.584 . . . . 0.0 112.095 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.28 -17.56 61.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.569 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 159.74 15.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.177 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -153.9 158.79 41.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.838 0.351 . . . . 0.0 111.472 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' HE3' HG12 ' A' ' 128' ' ' VAL . 33.2 t90 -125.38 148.17 48.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.05 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 126' ' ' ALA . 7.9 t -136.97 147.51 46.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.816 0.341 . . . . 0.0 110.472 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -76.83 151.61 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 p -89.52 36.36 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 111.371 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.6 25.23 54.36 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.037 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 88.4 mtp -112.43 108.39 17.51 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -106.7 146.58 33.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.626 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -84.3 178.43 26.47 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.325 -1.531 . . . . 0.0 112.029 -1.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.464 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 1.0 OUTLIER -107.24 111.72 24.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.651 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.99 128.14 56.1 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.873 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 33.4 p90 -147.39 134.84 20.79 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.36 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 114' ' ' LEU . 67.1 mt -109.27 135.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -110.91 121.77 64.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 47.9 t -97.7 117.03 31.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.283 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 91.7 m-85 -72.76 -29.41 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.653 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 66.38 2.81 2.56 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.711 -174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 139' ' ' SER . 48.4 mtmt -136.54 173.35 11.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -172.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 22.8 m-70 -100.74 105.67 17.02 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.691 HG12 HG23 ' A' ' 137' ' ' VAL . 34.6 m -121.88 146.77 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.302 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -102.41 117.12 34.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.244 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 87.5 mt -89.67 129.35 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB3' ' HA2' ' A' ' 135' ' ' GLY . 4.2 tp10 -111.58 -22.34 11.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.875 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.77 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 18.8 ttt180 -162.32 155.77 20.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.291 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -132.31 117.53 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.49 102.33 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.046 0.451 . . . . 0.0 109.819 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.16 124.58 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.912 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.51 102.45 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.087 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 24.2 m -149.96 -174.62 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.496 -175.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.556 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -140.0 159.83 41.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.187 175.098 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 65.48 -96.75 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.85 0.719 . . . . 0.0 111.191 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.892 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.8 t 55.9 -168.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 123.538 0.524 . . . . 0.0 110.214 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.892 ' H ' HG12 ' A' ' 69' ' ' VAL . 36.2 tt0 177.44 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -118.42 101.49 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.435 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 HG12 ' A' ' 118' ' ' ILE . 43.9 tp -116.51 116.43 27.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.086 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.707 ' HE2' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -100.18 130.24 46.29 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.586 177.058 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.547 HD12 HG13 ' A' ' 89' ' ' ILE . 47.3 mt -98.71 102.57 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.889 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.707 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 18.2 tt0 -107.22 133.17 52.19 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.148 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 15.1 ptmm? -118.87 150.93 39.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 65.7 m -134.21 118.46 17.64 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.104 0.478 . . . . 0.0 110.293 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.42 32.08 3.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -85.29 164.15 18.19 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.251 -172.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -89.28 -16.48 31.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.388 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 62.9 mm-40 -116.5 164.21 19.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.672 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 84.8 Cg_endo -77.99 34.43 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.298 1.999 . . . . 0.0 112.514 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.9 m -137.32 -173.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.872 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 61.55 98.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.433 0.635 . . . . 0.0 110.052 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -105.44 128.46 53.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.533 -171.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -104.09 120.89 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.371 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 138.89 58.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.055 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.401 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 10.7 t90 -130.83 -79.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.841 -176.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.547 HG13 HD12 ' A' ' 74' ' ' ILE . 5.5 pt -142.68 156.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.934 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -120.01 140.58 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.08 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE3' HG12 ' A' ' 105' ' ' ILE . 35.4 mmtt -128.54 107.48 9.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.534 0.683 . . . . 0.0 111.399 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.44 126.28 45.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.05 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 69' ' ' VAL . 82.7 mt -111.26 152.79 26.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.607 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -112.87 147.81 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.78 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -64.99 103.31 0.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.178 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 2.6 p -91.6 137.28 32.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.719 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.91 117.1 32.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.47 -25.87 4.84 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 19.8 tt0 -93.53 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.329 . . . . 0.0 110.623 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.2 tt -77.88 137.19 38.23 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 100' ' ' LEU . 73.7 mm-40 -72.37 83.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 0.0 111.492 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.41 95.21 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 168.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.98 121.32 40.78 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -174.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HG2' ' NH2' ' A' ' 61' ' ' ARG . 2.5 mp0 -99.13 92.99 5.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.607 0.718 . . . . 0.0 109.819 174.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 59.6 mt -86.87 95.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.674 -176.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.07 105.92 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.403 0.621 . . . . 0.0 109.961 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.84 131.74 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -99.44 120.58 39.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.79 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -167.1 140.05 6.08 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.466 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 m -100.52 131.34 46.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.47 155.63 39.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 111.803 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 p -106.73 -30.7 8.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.513 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 64.1 m-85 -130.11 137.88 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.259 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 32.7 mt -114.73 122.35 46.16 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HE ' HD11 ' A' ' 117' ' ' ILE . 52.2 ttt85 -110.76 96.06 5.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.352 0.596 . . . . 0.0 110.425 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.26 123.17 30.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.596 HD12 ' HD2' ' A' ' 73' ' ' LYS . 81.8 mt -122.5 107.23 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.103 0.478 . . . . 0.0 110.97 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.614 HG12 HD13 ' A' ' 72' ' ' LEU . 52.9 mt -87.88 102.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.658 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -74.43 -41.05 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.929 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -151.07 160.7 43.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.601 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.56 162.35 37.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.601 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -64.26 -23.66 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.265 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -126.04 -176.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -90.9 -18.31 24.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 109.571 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.29 122.37 45.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.316 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 40' ' ' THR . . . -114.56 112.41 22.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.9 p -104.99 114.03 27.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 0.0 111.467 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.426 HG12 ' HE3' ' A' ' 39' ' ' TRP . 6.3 p -104.68 132.11 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.451 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -84.97 -64.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.616 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 42.1 m -152.59 144.22 23.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.55 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 30' ' ' ILE . 13.3 m -121.04 122.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.888 175.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -120.59 138.43 53.9 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.475 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.45 26.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 53.5 mt-10 -94.24 139.94 30.41 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 60' ' ' GLU . . . 171.05 -141.81 6.7 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.604 HG23 ' HA ' ' A' ' 2' ' ' ARG . 22.9 p -138.29 126.35 22.75 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.197 0.522 . . . . 0.0 110.433 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.691 HG23 HG12 ' A' ' 57' ' ' VAL . 7.9 p -84.34 137.02 21.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.522 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.32 -58.28 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.788 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 36.6 m . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -146.94 112.53 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 6.3 tt -154.01 146.24 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.134 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.36 93.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 57' ' ' VAL . 89.9 mt -77.88 0.75 22.85 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.9 m -94.23 -3.61 50.43 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.211 -0.305 . . . . 0.0 111.566 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 74.6 mt -72.15 144.89 48.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 111.472 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -17.37 64.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 0.0 110.366 171.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -68.89 -22.46 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.416 0.627 . . . . 0.0 109.485 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 8.2 mm-40 -89.01 -15.98 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.889 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.88 5.31 35.81 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.326 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -81.51 144.21 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.102 0.477 . . . . 0.0 110.813 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.02 138.48 51.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.309 -175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.1 125.96 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 109.956 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.655 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.8 tt -124.58 114.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.835 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 16' ' ' ILE . 87.0 mt 73.97 131.85 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.52 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.56 146.4 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -66.01 -35.88 81.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 m -127.85 147.48 50.45 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -144.27 106.04 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 0.0 110.097 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -104.26 150.6 24.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.26 -13.58 32.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.05 0.452 . . . . 0.0 110.584 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -89.59 -36.2 15.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -116.97 84.63 16.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.315 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 14.1 Cg_exo -66.92 127.44 16.94 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.442 2.095 . . . . 0.0 111.893 -175.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.448 ' O ' HG22 ' A' ' 30' ' ' ILE . 51.4 Cg_exo -56.17 -29.92 77.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.929 2.42 . . . . 0.0 111.86 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.55 -17.97 57.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.382 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -84.81 -3.49 58.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.637 0.256 . . . . 0.0 110.889 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 31' ' ' ILE . 10.7 tt -70.41 -27.7 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.249 0.547 . . . . 0.0 109.873 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 30' ' ' ILE . 15.1 pt -102.34 6.43 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.854 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.94 -57.84 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.24 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.27 -8.39 35.45 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.063 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.6 m-80 -83.59 131.46 52.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.787 0.794 . . . . 0.0 110.756 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 3.7 Cg_exo -78.47 13.77 1.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.813 2.342 . . . . 0.0 112.875 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.53 -40.21 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.242 0.544 . . . . 0.0 110.0 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -151.1 119.27 6.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.669 175.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 30.1 p90 -112.6 164.66 13.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.5 144.24 28.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.325 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 t -147.04 141.66 26.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.508 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 43' ' ' GLY . 27.5 m -78.61 138.39 38.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.286 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -85.54 6.3 27.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.723 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.727 ' H ' HG22 ' A' ' 41' ' ' THR . . . 104.8 47.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.854 172.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 51.5 ttp -123.47 117.62 25.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 117.211 0.505 . . . . 0.0 109.807 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -106.5 141.06 22.0 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.985 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.4 165.48 80.41 Favored 'Cis proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.581 -1.425 . . . . 0.0 112.275 -0.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.636 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 57.2 mt-30 -106.99 111.51 24.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.68 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.165 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.1 149.12 28.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.741 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 16' ' ' ILE . 42.8 mt -118.99 143.67 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.035 0.445 . . . . 0.0 110.837 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.15 118.66 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 54' ' ' HIS . 53.7 t -102.78 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.6 m-85 -71.28 -20.19 62.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.792 -176.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.473 ' HD2' ' SG ' ' A' ' 52' ' ' CYS . 17.3 m170 63.44 12.57 6.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.377 0.423 . . . . 0.0 110.694 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -161.23 154.99 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.087 -168.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -88.03 115.79 25.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.693 ' HB ' HD13 ' A' ' 6' ' ' LEU . 15.9 m -125.41 141.72 44.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.233 0.54 . . . . 0.0 111.628 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.63 ' HG2' HG22 ' A' ' 138' ' ' VAL . 15.5 mmm-85 -84.3 108.12 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.739 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -95.5 117.38 39.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 O-C-N 123.657 0.598 . . . . 0.0 109.788 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -124.6 4.64 8.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 0.0 109.609 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 16.2 tpp85 -158.34 136.19 10.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.649 -177.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.574 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 88.8 mt -123.64 115.31 21.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.87 102.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 35.2 mm -100.22 105.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.27 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -108.55 105.48 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 p -140.42 165.68 26.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.861 0.363 . . . . 0.0 111.838 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.21 128.6 56.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.186 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 69.32 -93.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.785 0.678 . . . . 0.0 111.687 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.886 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.7 t 52.65 -158.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 O-C-N 123.363 0.415 . . . . 0.0 109.917 -176.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.886 ' H ' HG12 ' A' ' 69' ' ' VAL . 28.8 tt0 177.53 -72.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.262 0.625 . . . . 0.0 109.745 175.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 m -110.41 100.07 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 118' ' ' ILE . 38.4 tp -118.34 113.58 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.715 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -100.94 123.26 44.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.983 0.421 . . . . 0.0 110.157 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.672 HD12 HG13 ' A' ' 89' ' ' ILE . 66.4 mt -93.11 118.53 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.975 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.795 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 14.3 tt0 -105.43 133.84 49.53 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 88' ' ' TRP . 22.2 ptmt -112.81 144.33 42.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.759 0.314 . . . . 0.0 111.303 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.5 t -143.02 136.87 28.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 111' ' ' ALA . 0.8 OUTLIER -132.05 24.15 4.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.977 177.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -92.83 14.23 18.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.861 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 71.81 -49.29 0.69 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.172 0.589 . . . . 0.0 111.029 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -86.31 158.68 54.71 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.75 56.35 2.89 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.829 2.353 . . . . 0.0 111.745 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.92 172.97 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.25 52.47 12.03 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.081 0.863 . . . . 0.0 112.509 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.774 ' HB2' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -93.5 128.61 39.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.01 174.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -123.16 157.9 31.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.163 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.01 125.27 23.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.113 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 76' ' ' LYS . 9.7 t90 -100.75 -74.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.672 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -141.76 105.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.309 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' LYS . 9.0 pt-20 -96.28 134.91 38.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.082 0.468 . . . . 0.0 110.06 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -128.36 141.52 51.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.655 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.8 p-10 -94.89 127.97 41.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 170.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.65 162.25 13.07 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.23 139.56 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.063 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.96 105.69 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.804 0.335 . . . . 0.0 110.487 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.6 p -96.51 140.89 30.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.296 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -103.86 103.69 13.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.713 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.04 13.49 76.05 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.625 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.542 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.8 mm100 -121.45 144.8 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.906 0.384 . . . . 0.0 111.048 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 129' ' ' HIS . 6.9 mt -80.09 127.51 32.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.605 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -85.37 94.13 8.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 84.9 m-20 -102.03 104.79 15.47 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.58 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.0 112.55 25.58 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.979 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.59 85.61 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 62.2 mt -79.99 125.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.627 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.07 86.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.49 118.09 35.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.311 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -99.07 104.68 16.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.017 0.437 . . . . 0.0 109.901 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.21 -172.17 34.1 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.867 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 m -143.3 136.7 28.22 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.639 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -148.92 147.94 29.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 15.8 p -100.78 -25.16 14.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.805 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 63.3 m-85 -132.69 127.2 34.29 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.106 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.2 mt -114.97 116.3 28.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.795 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 62.6 ttt180 -106.62 106.78 17.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.769 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -89.75 115.22 26.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.715 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 68.8 mt -114.16 102.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.438 0.637 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 58.5 mt -86.82 101.12 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.038 174.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.7 t -68.22 -42.82 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.373 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 p -154.98 163.16 40.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -139.29 162.54 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -67.13 -31.56 72.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 110.468 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.46 168.15 9.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.002 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.33 -22.43 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.016 0.436 . . . . 0.0 110.41 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -115.92 148.33 40.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.88 139.86 43.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.239 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -127.42 142.85 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.4 p -114.6 138.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.474 ' HB2' HD21 ' A' ' 100' ' ' LEU . 10.7 t60 -96.01 -55.84 2.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 m -158.54 125.65 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.116 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.26 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.368 0.604 . . . . 0.0 109.972 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.7 m -109.26 148.33 31.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.843 -172.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.67 123.81 51.13 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 27.5 mt-10 -107.18 150.73 26.3 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.161 0.505 . . . . 0.0 110.855 -176.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 154.3 -130.92 3.03 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 163.0 39.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.063 0.432 . . . . 0.0 111.37 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -84.49 132.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.759 0.314 . . . . 0.0 111.228 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.63 HG22 ' HG2' ' A' ' 58' ' ' ARG . 40.9 t -89.84 -71.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -177.388 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 136' ' ' THR . 48.0 ttt180 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.43 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 51.3 mttm 70.46 89.43 0.1 Allowed 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.771 0.796 . . . . 0.0 110.926 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tt -138.59 145.41 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.657 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.28 102.78 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 110.314 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 57' ' ' VAL . 30.7 mt -83.77 4.83 27.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.052 -174.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.23 -5.61 46.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.53 133.09 46.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.949 0.404 . . . . 0.0 111.338 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 31' ' ' ILE . 54.8 p -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.202 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -78.64 -17.65 55.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.812 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -87.01 -9.48 55.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.512 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.58 35.27 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.286 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 135.27 41.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.033 0.444 . . . . 0.0 110.23 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -137.93 134.47 35.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.937 -173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 27' ' ' PRO . 15.3 m -84.27 130.44 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.278 0.561 . . . . 0.0 110.674 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.8 tt -130.67 133.08 63.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 62.14 80.11 0.24 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.656 0.741 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.47 143.91 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.053 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -68.76 -38.33 80.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.812 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -167.35 169.63 12.19 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 34.4 t -172.6 159.77 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.893 ' HB2' ' HB2' ' A' ' 25' ' ' HIS . 7.3 m-20 -92.19 161.96 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 24' ' ' LYS . 8.1 pt-20 -76.37 -36.54 58.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.868 0.366 . . . . 0.0 110.54 177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 63.7 mttp -99.79 -0.5 39.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.447 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.893 ' HB2' ' HB2' ' A' ' 22' ' ' ASP . 28.5 m80 -129.27 72.48 81.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 98.4 Cg_endo -93.18 162.59 2.54 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.952 2.434 . . . . 0.0 113.187 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.797 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.2 Cg_exo -66.71 -12.38 35.67 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.904 2.402 . . . . 0.0 111.119 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -56.57 -31.01 63.8 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.515 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 29.1 t-20 -69.88 -30.81 68.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.8 -35.23 72.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.181 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 9' ' ' SER . 31.0 pt -98.79 6.59 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.596 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 19.0 t70 -101.26 -67.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.86 27.17 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.585 -0.817 . . . . 0.0 114.246 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 49.5 t30 -84.32 116.75 66.49 Favored Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 117.724 0.762 . . . . 0.0 110.588 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 24.6 Cg_exo -63.64 -14.14 40.9 Favored 'Trans proline' 0 N--CA 1.477 0.551 0 C-N-CA 123.667 2.911 . . . . 0.0 114.26 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.35 -27.71 69.2 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' ND2' ' A' ' 29' ' ' ASN . 9.2 t -138.53 163.82 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.4 p90 -154.2 169.48 23.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.29 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 128' ' ' VAL . 82.1 t90 -94.43 113.53 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 0.0 109.64 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t -103.42 146.32 28.67 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.1 p -76.67 125.62 29.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.96 11.02 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.885 0.374 . . . . 0.0 111.716 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.14 14.61 51.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.993 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.519 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 25.6 mmt -94.22 88.82 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.757 -0.261 . . . . 0.0 110.549 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.85 132.64 20.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.968 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.62 163.58 74.06 Favored 'Cis proline' 0 C--O 1.234 0.314 0 C-N-CA 123.256 -1.56 . . . . 0.0 112.347 -1.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' MET . 14.6 pt20 -134.71 149.82 50.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -135.82 150.35 49.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.262 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -148.9 133.04 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.496 HG12 ' HG3' ' A' ' 115' ' ' ARG . 58.0 mt -105.93 134.83 46.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.913 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.36 114.77 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.448 . . . . 0.0 109.918 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 t -93.89 112.04 23.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.9 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 90.9 m-85 -71.95 -19.17 61.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.023 0.44 . . . . 0.0 109.887 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 67.59 -2.51 1.32 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.326 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -147.68 176.71 9.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.586 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 51.3 m-70 -95.61 115.51 27.54 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.3 m -117.5 140.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.25 0.548 . . . . 0.0 111.177 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 58' ' ' ARG . 38.9 ttm180 -96.64 108.39 20.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.254 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 70.7 mt -92.24 126.86 44.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.39 -44.43 7.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.629 ' HG2' ' HA ' ' A' ' 106' ' ' VAL . 82.7 mtm180 -144.01 151.26 39.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.4 mp -109.89 108.97 19.44 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.2 t -91.34 98.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 131' ' ' VAL . 45.9 mt -105.92 119.56 55.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.37 102.21 12.14 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.438 ' HB3' HG23 ' A' ' 128' ' ' VAL . 36.2 p -149.56 143.22 25.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.571 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -128.11 145.06 51.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.41 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 38.6 m-85 74.74 2.31 4.01 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.02 0.825 . . . . 0.0 112.209 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 32.1 t -76.69 144.22 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 3.9 tm0? -113.2 -88.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.901 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.9 m -86.98 106.56 17.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.026 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.527 HD11 ' HD1' ' A' ' 116' ' ' PHE . 27.0 tp -114.77 114.59 25.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.634 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 86.2 tttt -95.94 115.67 27.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.495 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 89' ' ' ILE . 52.5 mt -93.45 99.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 20.0 tt0 -96.78 136.65 37.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.477 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . 27.4 ttmt -106.59 138.76 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.818 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 33.1 m -136.1 128.57 30.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.01 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 111' ' ' ALA . 44.0 p -109.22 12.67 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.365 0.602 . . . . 0.0 110.49 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -85.53 171.39 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.907 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -76.99 -28.92 55.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 83' ' ' VAL . 11.2 mm-40 -100.8 161.03 25.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.593 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 44.67 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.427 2.084 . . . . 0.0 112.353 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.8 m -129.79 179.75 3.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.485 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 64.91 87.53 0.11 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -103.7 133.8 48.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.777 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.607 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 10.4 pt-20 -124.61 142.5 51.32 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 170.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.74 98.18 10.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.976 0.417 . . . . 0.0 110.471 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -75.46 -73.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.395 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 105' ' ' ILE . 1.1 pt -147.82 107.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.162 0.506 . . . . 0.0 111.831 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -91.97 113.4 25.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -123.92 129.25 50.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 110.415 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 13.6 p-10 -95.16 131.94 40.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.092 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 30.8 tp -80.65 148.24 30.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.454 -177.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.09 168.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -106.82 121.08 43.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.892 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 13.5 p -131.65 111.39 11.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 173.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -68.59 111.98 5.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.069 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.48 3.3 66.01 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.554 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.892 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 16.2 mm100 -109.22 115.44 30.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.6 97.92 9.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.934 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -95.84 116.22 28.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.48 135.65 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 105' ' ' ILE . 14.7 tp10 -97.37 101.94 13.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.239 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -96.56 100.35 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 89' ' ' ILE . 77.2 mt -91.62 104.96 16.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.629 ' HA ' ' HG2' ' A' ' 61' ' ' ARG . 4.0 p -78.32 98.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.944 0.878 . . . . 0.0 110.414 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.74 121.76 14.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.704 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 47.1 m80 -99.11 114.32 26.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.361 . . . . 0.0 110.533 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.61 178.26 34.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.356 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -138.26 123.66 19.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -144.85 164.53 30.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.929 0.395 . . . . 0.0 111.311 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.7 p -110.37 -29.28 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.677 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.818 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 50.8 m-85 -127.84 131.14 49.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.494 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.558 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 33.1 mt -114.77 123.62 49.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 171.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 66.4 ttt180 -106.48 100.14 9.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.873 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.527 ' HD1' HD11 ' A' ' 72' ' ' LEU . 57.1 m-85 -88.51 109.6 20.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.145 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 64.0 mt -106.81 115.01 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.442 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.5 mt -98.36 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.57 -43.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.957 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -143.96 159.97 41.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -140.16 170.37 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.871 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -74.33 -20.29 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.461 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.59 174.23 10.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -79.71 -16.76 55.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.005 0.431 . . . . 0.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -117.03 122.32 43.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.001 0.429 . . . . 0.0 110.367 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.24 171.15 8.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.737 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -145.25 127.9 16.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.392 . . . . 0.0 111.019 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 39' ' ' TRP . 13.5 p -120.23 127.64 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 171.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 19.2 t60 -97.02 -41.55 8.32 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.885 -176.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.8 t -164.09 129.01 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.849 0.357 . . . . 0.0 110.654 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 64' ' ' ILE . 10.2 m -109.76 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 m -90.75 137.9 32.0 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.22 108.93 20.71 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.43 ' OE2' ' HG2' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -97.76 121.48 39.72 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.094 0.473 . . . . 0.0 110.016 -176.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.22 1.01 Allowed Glycine 0 N--CA 1.438 -1.212 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 2' ' ' ARG . 16.7 p -146.41 145.88 30.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.5 m -76.96 105.35 5.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.271 0.557 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.47 -34.27 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.539 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 45.5 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 2' ' ' ARG . 42.9 ttm105 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 64.1 tttp 63.0 35.54 13.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 122.58 1.181 . . . . 0.0 107.892 -168.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.6 tt -95.29 138.22 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 -177.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -71.09 111.81 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.022 0.439 . . . . 0.0 109.824 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.727 HD13 ' HB ' ' A' ' 57' ' ' VAL . 13.5 mt -98.83 0.89 45.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.151 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.05 -3.98 50.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.78 0.324 . . . . 0.0 111.563 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 140.68 58.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.995 0.426 . . . . 0.0 111.062 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -78.76 -19.17 52.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.259 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -82.68 -10.58 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.357 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.94 3.49 42.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 m -83.78 138.83 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.975 0.417 . . . . 0.0 111.207 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -126.45 179.41 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.134 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.47 149.73 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.77 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.486 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.6 tt -141.12 156.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.653 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.9 tt 73.2 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.734 0.813 . . . . 0.0 110.364 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 55.45 92.99 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.584 0.552 . . . . 0.0 112.149 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -61.05 -53.37 58.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.67 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -84.79 81.21 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -102.94 120.15 40.11 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -97.77 141.84 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -94.29 -5.81 45.87 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.843 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.17 -31.85 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.319 0.58 . . . . 0.0 109.469 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -120.86 86.35 41.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 Cg_exo -73.61 156.02 49.54 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.003 2.468 . . . . 0.0 112.969 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 48.8 Cg_exo -59.11 -13.96 21.59 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.784 2.99 . . . . 0.0 113.676 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.58 -20.89 61.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.135 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.571 ' OD1' ' HB ' ' A' ' 37' ' ' THR . 0.9 OUTLIER -78.94 1.66 22.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.333 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.95 -30.83 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.236 0.541 . . . . 0.0 110.07 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.796 HG13 ' H ' ' A' ' 32' ' ' ASP . 5.6 pt -118.9 -86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.98 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.796 ' H ' HG13 ' A' ' 31' ' ' ILE . 22.8 t70 68.7 -51.16 0.57 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.747 0.819 . . . . 0.0 112.884 175.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.62 -0.52 32.38 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -174.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.3 t-20 -143.46 113.84 5.62 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 7.3 Cg_exo -74.59 19.19 0.47 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.051 2.501 . . . . 0.0 114.148 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -71.87 -46.05 59.24 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.001 -0.437 . . . . 0.0 109.99 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.571 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 23.6 p -91.47 153.31 19.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -154.05 154.18 33.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.185 0.516 . . . . 0.0 111.661 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -95.65 125.53 40.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.466 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -114.03 159.21 20.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.097 0.475 . . . . 0.0 110.753 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.521 ' HB ' ' H ' ' A' ' 126' ' ' ALA . 15.9 m -94.61 123.95 38.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.913 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 27.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.678 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 124' ' ' HIS . . . 88.06 -11.78 66.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.414 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.0 ttt -86.46 103.87 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.976 0.417 . . . . 0.0 111.763 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.44 150.89 40.06 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.604 171.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.877 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 4.4 Cg_exo -78.22 161.07 91.11 Favored 'Cis proline' 0 C--N 1.343 0.262 0 C-N-CA 123.716 -1.368 . . . . 0.0 112.234 -1.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 4.3 pt20 -118.95 126.85 52.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.602 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.498 ' HG2' HG23 ' A' ' 117' ' ' ILE . 28.8 mt-10 -118.71 133.46 55.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.636 -177.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -145.81 142.78 29.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.486 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.2 mt -114.71 135.28 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.026 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -105.88 126.63 61.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.7 t -102.15 114.17 28.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.119 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.437 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.6 m-85 -78.49 -16.6 57.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.087 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 12.8 m-70 69.35 -5.62 1.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.01 0.524 . . . . 0.0 111.669 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.62 166.91 29.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.312 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -82.65 124.13 29.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.727 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.1 m -130.45 141.66 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.063 0.459 . . . . 0.0 111.459 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.2 ttm180 -89.42 114.78 26.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -98.2 126.31 51.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 23.7 tt0 -107.68 -36.87 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 87.5 mtt180 -137.89 142.55 40.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 111.015 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.9 mp -110.03 111.76 23.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 53.0 t -91.0 98.72 8.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 62' ' ' LEU . 11.1 mm -102.21 112.59 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.05 -174.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -107.56 102.22 11.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 109.993 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -151.11 176.58 11.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.533 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HD2' ' HG ' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -141.26 153.96 45.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 45.6 m-85 77.14 -25.9 0.19 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.689 0.796 . . . . 0.0 112.632 172.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 HG23 ' A' ' 118' ' ' ILE . 48.5 t -53.84 146.04 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.95 0.5 . . . . 0.0 111.793 -178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -120.23 -63.65 1.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.482 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -108.88 115.73 30.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.731 HD11 ' HD2' ' A' ' 116' ' ' PHE . 19.8 tp -116.25 108.47 16.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.351 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 35.0 tttp -89.79 124.43 34.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.553 -176.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 HG13 ' A' ' 89' ' ' ILE . 20.3 mt -122.18 108.76 22.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.381 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' A' ' 87' ' ' GLN . 2.6 mp0 -102.26 150.5 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.9 ptpp? -107.06 141.17 38.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 52.9 m -135.1 127.3 30.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.6 p -105.53 -3.68 22.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.901 0.381 . . . . 0.0 111.271 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 m -76.96 163.56 26.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -84.4 -16.49 42.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -78.96 149.86 74.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.25 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.14 38.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 26.4 m -136.69 -173.95 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.9 t0 64.15 80.45 0.23 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.128 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 83' ' ' VAL . 96.9 m-85 -106.71 100.56 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.22 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -88.86 111.6 22.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.732 178.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.722 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 10.3 tt0 -50.72 114.36 1.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -175.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -92.96 -72.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.382 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.583 HG13 HD12 ' A' ' 74' ' ' ILE . 1.8 pt -141.8 114.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.434 0.635 . . . . 0.0 111.917 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -78.96 96.07 5.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HG2' HD13 ' A' ' 105' ' ' ILE . 28.6 tptp -100.16 143.01 30.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.235 0.541 . . . . 0.0 111.43 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.05 141.23 32.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.537 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.507 HD13 ' HB ' ' A' ' 69' ' ' VAL . 6.5 tt -126.23 146.22 50.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 93' ' ' LEU . 44.3 t -119.15 142.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.618 -174.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -71.58 92.0 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.745 HG21 HE21 ' A' ' 99' ' ' GLN . 4.3 p -78.56 131.54 36.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.34 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -83.46 127.92 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.418 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.98 17.73 59.06 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.619 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.745 HE21 HG21 ' A' ' 96' ' ' THR . 22.9 tt0 -140.59 127.96 21.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.859 0.362 . . . . 0.0 110.72 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.573 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 2.8 tt -89.52 115.97 27.33 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 171.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -73.14 89.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.213 0.53 . . . . 0.0 111.591 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.93 95.3 10.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -110.46 122.91 48.88 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.22 -175.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.93 102.02 11.42 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 80.4 mt -79.66 106.47 10.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.17 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -76.3 91.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.508 0.67 . . . . 0.0 110.345 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.08 120.54 26.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.64 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -98.98 113.71 26.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.89 -176.28 36.43 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.101 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -131.59 137.97 48.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.76 165.33 34.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.299 0.571 . . . . 0.0 111.847 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 m -121.25 -33.46 3.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.719 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 40.6 m-85 -129.89 146.9 51.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.389 173.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 52.0 mt -129.98 130.04 44.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 117' ' ' ILE . 7.8 ttm180 -106.42 115.38 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.731 ' HD2' HD11 ' A' ' 72' ' ' LEU . 75.3 m-85 -98.35 113.57 25.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.151 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.1 mt -110.94 101.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.106 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.618 HG23 HG13 ' A' ' 69' ' ' VAL . 59.6 mt -82.58 97.17 4.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 174.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.877 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.0 t -72.17 -57.4 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.053 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -134.83 156.34 49.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.054 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.05 161.15 38.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.16 -18.51 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.27 0.557 . . . . 0.0 110.159 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 68' ' ' PHE . 4.4 m-20 -124.24 168.66 12.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.786 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.53 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 64.8 t60 -91.08 10.4 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.969 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -149.91 155.39 39.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.521 ' H ' ' HB ' ' A' ' 41' ' ' THR . . . -149.08 158.6 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.2 t -143.15 131.49 22.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.332 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.51 138.15 26.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.3 -23.69 8.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.828 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.2 p -171.11 142.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.994 0.426 . . . . 0.0 110.834 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.01 128.94 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.855 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 59.7 m -128.0 148.56 50.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.099 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -125.55 102.53 7.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 94.6 mt-10 -94.54 118.9 32.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.238 0.542 . . . . 0.0 111.23 -175.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -170.3 -127.19 0.92 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.3 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.429 ' OG1' ' HD2' ' A' ' 58' ' ' ARG . 12.0 p -140.68 141.33 35.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.726 0.298 . . . . 0.0 110.207 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.5 127.75 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.665 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.25 -56.56 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.404 176.026 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp 62.57 51.95 3.05 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.6 tt -95.3 140.04 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.336 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.37 91.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.0 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 24.2 mt -82.12 5.08 20.75 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -170.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.5 m -94.48 -3.26 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.4 150.89 31.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.838 -174.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -67.54 -22.02 65.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.751 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -64.29 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.606 174.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -84.9 2.03 44.54 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.129 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 8.05 84.01 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 m -78.07 146.11 35.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.075 0.464 . . . . 0.0 110.181 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 31' ' ' ILE . 42.0 tt0 -146.19 142.4 28.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.252 -171.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -86.96 135.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.144 0.497 . . . . 0.0 110.619 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.1 tt -137.56 139.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.281 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 tt 61.99 84.4 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.353 0.597 . . . . 0.0 110.331 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.93 121.28 42.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -54.47 -52.5 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.536 -175.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -132.26 118.91 20.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.543 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -117.91 118.25 31.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.008 0.433 . . . . 0.0 110.186 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.207 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.25 -16.31 56.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.329 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -101.45 -15.05 17.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.43 0.634 . . . . 0.0 109.518 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -133.88 74.12 69.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.385 -0.825 . . . . 0.0 108.987 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 Cg_endo -83.71 135.5 6.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.046 2.498 . . . . 0.0 113.155 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 20.2 Cg_exo -66.77 -12.35 35.61 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.228 2.619 . . . . 0.0 111.705 177.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.49 -26.76 68.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.995 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.544 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 16.7 t-20 -64.88 -25.73 68.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.458 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.25 -42.26 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.469 -177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 14' ' ' GLU . 36.6 pt -91.72 -1.33 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.491 0.662 . . . . 0.0 110.401 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 29.6 t70 -87.46 -48.55 7.86 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.986 -176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.54 66.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.991 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -89.28 118.11 68.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 117.678 0.739 . . . . 0.0 110.385 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.18 2.95 3.28 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.999 2.466 . . . . 0.0 112.717 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.54 -23.65 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -132.68 166.59 21.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.324 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -153.07 151.19 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.4 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.5 t90 -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 140.36 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.691 HG21 ' HG2' ' A' ' 47' ' ' GLN . 80.4 p -78.17 116.35 18.56 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 45.8 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -171.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.51 33.77 46.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.31 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.7 tpt -113.31 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.588 0.232 . . . . 0.0 110.541 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.95 136.43 19.45 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.62 173.51 39.85 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.2 -1.583 . . . . 0.0 111.979 -2.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.705 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 0.7 OUTLIER -107.5 150.31 26.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -176.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -164.37 119.67 1.49 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.144 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 44.2 p90 -134.83 145.71 48.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.226 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.5 mt -114.57 128.63 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 -175.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.4 mt -110.49 113.59 44.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 17.9 p -98.88 137.75 36.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.492 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 55' ' ' LYS . 79.9 m-85 -83.35 -14.03 53.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 4.3 m-70 70.76 -17.18 0.3 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.836 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 53' ' ' PHE . 25.8 pttm -136.77 161.98 34.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 139' ' ' SER . 22.0 t-80 -82.74 105.71 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.36 169.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.536 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.4 120.7 37.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.628 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 91.6 mt -89.64 135.32 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.791 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -101.65 -35.73 9.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.787 0.327 . . . . 0.0 110.139 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -161.73 159.96 27.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.143 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -110.17 134.1 52.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.995 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.49 106.85 21.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 HG12 ' A' ' 131' ' ' VAL . 26.5 mt -115.82 142.17 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.263 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -126.77 102.11 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -135.13 154.78 51.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 0.2 OUTLIER -129.32 140.44 51.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.921 0.391 . . . . 0.0 111.195 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 68.64 30.26 5.09 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.518 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.647 ' HB ' HD22 ' A' ' 93' ' ' LEU . 63.9 t -100.43 135.21 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 76.8 mt-30 -95.49 -85.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 110.313 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -97.83 115.63 28.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.073 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.72 109.32 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.677 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 48.2 tttp -92.0 129.68 37.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.639 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 89' ' ' ILE . 45.0 mt -114.91 108.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.111 0.481 . . . . 0.0 111.238 -176.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.79 141.79 28.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.4 175.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.3 ptmm? -118.08 119.02 33.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.001 0.429 . . . . 0.0 110.296 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 1.027 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 71.1 m -101.79 131.63 47.99 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -107.41 10.79 29.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.301 0.572 . . . . 0.0 110.738 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 p -92.5 163.01 13.98 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.105 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HB2' ' HE3' ' A' ' 80' ' ' LYS . 30.9 mtmt -69.28 -30.3 68.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.525 0.679 . . . . 0.0 109.637 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 83' ' ' VAL . 33.6 mt-10 -93.06 154.26 41.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.265 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.7 45.7 1.84 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.019 2.479 . . . . 0.0 112.057 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.3 m -122.13 -162.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.08 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 83' ' ' VAL . 16.2 t70 73.68 -74.78 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.784 0.677 . . . . 0.0 111.528 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.709 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 56.4 m-85 59.58 90.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.595 0.559 . . . . 0.0 111.583 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -82.24 125.27 30.75 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.25 107.74 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.526 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 9.4 t90 -102.3 -79.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -173.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.521 HG13 HD12 ' A' ' 74' ' ' ILE . 2.5 pt -140.27 143.68 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.469 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 56.1 mt-10 -124.82 119.61 29.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -115.43 140.16 49.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.072 0.463 . . . . 0.0 111.138 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 7.5 p-10 -110.6 119.91 40.7 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.053 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.647 HD22 ' HB ' ' A' ' 69' ' ' VAL . 7.6 mp -86.97 171.83 10.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.135 -173.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.14 154.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.883 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.5 100.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.432 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -90.36 117.74 29.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.491 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -102.08 100.9 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.352 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 38.81 86.0 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.377 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -137.12 141.2 42.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.51 0.195 . . . . 0.0 110.799 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.17 97.17 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -88.01 148.8 24.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 102' ' ' ASN . 0.9 OUTLIER -109.52 117.34 33.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.03 93.33 8.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.73 84.84 7.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.452 0.644 . . . . 0.0 109.5 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 82.7 mt -86.33 107.22 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.978 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.9 t -76.86 95.31 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.31 0.576 . . . . 0.0 109.814 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.95 103.2 3.73 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.626 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.628 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.5 p80 -105.0 116.98 32.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.446 0.641 . . . . 0.0 111.734 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 161.86 35.68 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.961 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -91.51 141.66 28.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 117.086 0.443 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.06 159.09 35.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 p -115.68 -26.59 7.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.528 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 1.027 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 34.2 m-85 -130.43 133.32 46.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.177 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.8 120.89 41.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 68.9 ttt180 -106.49 110.79 23.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.228 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -97.63 106.62 18.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 65.3 mt -101.4 106.91 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 31.8 mt -89.14 101.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 35.2 t -76.64 -34.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -175.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -152.0 156.7 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.913 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.82 157.07 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -71.05 -28.12 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 110.204 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.36 -172.3 2.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -91.51 1.35 57.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.286 0.565 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.83 129.34 19.06 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.929 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -100.39 127.63 46.67 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.531 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 19.4 m -122.31 113.92 20.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.982 0.42 . . . . 0.0 110.836 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.4 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.2 p -87.62 135.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -104.29 -49.12 3.66 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.944 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -143.84 135.58 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.554 HG12 HG23 ' A' ' 64' ' ' ILE . 25.8 m -133.47 137.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.5 m -147.74 132.9 18.33 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.01 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.4 110.24 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -94.3 112.81 24.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.183 0.516 . . . . 0.0 110.166 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -158.52 -136.64 2.1 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.308 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.6 p -139.31 146.39 40.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 m -79.1 137.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 41.3 t -116.21 -69.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.93 0.395 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.697 ' HB2' ' HB3' ' A' ' 56' ' ' HIS . 1.6 m . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 89.3 mtt180 . . . . . 0 C--O 1.235 0.306 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 2' ' ' ARG . 20.6 tptt 69.64 106.75 0.06 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.947 0.879 . . . . 0.0 109.454 -166.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 tt -150.33 145.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.454 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.73 91.38 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.529 0.68 . . . . 0.0 110.086 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.2 mt -73.87 -16.23 61.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.044 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 94.4 m -86.38 -3.67 59.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.83 145.73 53.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 t -67.34 -20.4 65.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 -19.99 65.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.097 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.22 -0.15 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.845 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.79 13.25 65.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.548 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 m -94.51 138.01 32.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.564 ' HA ' HD13 ' A' ' 31' ' ' ILE . 36.9 mt-10 -133.64 167.12 21.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.217 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.463 HG12 HG12 ' A' ' 51' ' ' ILE . 18.7 m -102.55 155.69 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.754 0.312 . . . . 0.0 110.428 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.845 HG12 HD12 ' A' ' 17' ' ' LEU . 13.9 tt -144.23 155.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 16' ' ' ILE . 8.4 mp 69.33 -94.7 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.465 0.706 . . . . 0.0 110.941 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.98 116.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.867 0.729 . . . . 0.0 111.828 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.7 p -80.33 18.66 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.724 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 32.3 t -164.49 133.71 3.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 110.389 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 m -153.09 113.46 4.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.01 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.15 148.76 21.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.5 -29.45 70.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 111.391 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 25.7 mtpp -105.19 -30.32 9.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.596 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -115.21 81.12 7.82 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.005 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' LYS . 52.6 Cg_endo -93.14 166.87 2.44 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.124 2.549 . . . . 0.0 112.434 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.38 -9.82 11.8 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.128 2.552 . . . . 0.0 113.265 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.93 -36.93 60.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.933 0.397 . . . . 0.0 110.641 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.06 2.01 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.034 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.7 mt -79.48 -34.37 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.619 HG13 ' H ' ' A' ' 32' ' ' ASP . 11.4 pt -109.25 -104.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.897 175.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 31' ' ' ILE . 47.2 t0 69.09 -53.85 0.58 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.503 0.721 . . . . 0.0 112.18 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.48 13.3 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -172.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 75.3 m-20 -126.89 112.56 22.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.367 . . . . 0.0 110.773 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 2.7 Cg_endo -82.74 19.71 1.26 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.685 2.923 . . . . 0.0 112.382 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.77 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.813 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.4 m -91.46 -169.39 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.34 -170.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.813 ' H ' HG22 ' A' ' 37' ' ' THR . 43.0 p90 -153.49 157.86 40.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.673 ' HE3' HG12 ' A' ' 128' ' ' VAL . 66.8 t90 -110.53 137.54 48.08 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -121.99 148.43 44.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.016 0.436 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.653 HG21 ' HB3' ' A' ' 47' ' ' GLN . 3.0 m -91.97 159.58 15.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.773 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 p -76.75 1.75 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.86 12.63 68.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.784 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 70.1 mtm -92.27 101.61 14.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.649 -0.324 . . . . 0.0 110.571 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 120' ' ' SER . 86.7 m-85 -78.67 141.5 60.23 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.62 151.17 88.53 Favored 'Cis proline' 0 C--N 1.344 0.322 0 C-N-CA 123.579 -1.425 . . . . 0.0 111.887 -3.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.653 ' HB3' HG21 ' A' ' 41' ' ' THR . 33.7 mt-30 -106.91 115.6 30.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.89 152.7 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.487 0.661 . . . . 0.0 112.608 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -157.15 155.01 30.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.015 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.775 HG12 ' HG3' ' A' ' 115' ' ' ARG . 49.3 mt -120.49 141.71 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.463 HG12 HG12 ' A' ' 15' ' ' VAL . 46.8 mt -113.56 126.72 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.446 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 9.3 p -107.59 122.71 47.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.1 m-85 -81.06 -18.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.713 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 67.0 9.04 6.59 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.995 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HG3' HG13 ' A' ' 57' ' ' VAL . 48.6 pttt -158.89 157.42 31.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.996 -176.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -85.52 105.64 16.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 55' ' ' LYS . 17.9 m -112.55 162.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.109 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 38.7 ttm180 -105.5 112.75 25.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.768 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.408 HG21 ' HH2' ' A' ' 88' ' ' TRP . 87.3 mt -93.76 126.8 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.755 0.312 . . . . 0.0 110.924 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -107.88 -28.86 9.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.823 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 50.4 mtm180 -149.85 150.87 32.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.712 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.0 mp -120.36 107.57 13.09 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 132' ' ' SER . 61.8 t -90.72 101.07 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mt -111.84 132.78 59.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.34 0.59 . . . . 0.0 111.335 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 130' ' ' SER . 51.5 mt-30 -113.98 102.29 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.037 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -144.29 155.1 43.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.923 0.392 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -116.03 152.33 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.964 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 45.4 m-85 75.99 -31.46 0.2 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.09 0.869 . . . . 0.0 113.198 169.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 118' ' ' ILE . 58.7 t -53.09 135.72 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 122.685 0.394 . . . . 0.0 112.006 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 52.9 tt0 -115.91 -78.25 0.58 Allowed 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 175.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -90.45 101.31 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.365 0.602 . . . . 0.0 111.237 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.6 tp -108.68 110.15 21.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.468 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE2' ' OE1' ' A' ' 87' ' ' GLN . 12.3 tttt -96.37 115.84 28.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.722 HD12 HG13 ' A' ' 89' ' ' ILE . 22.6 mt -96.85 111.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.441 . . . . 0.0 110.876 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.746 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 1.4 tp10 -95.94 150.74 20.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.2 ptmm? -127.13 140.16 52.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.086 0.47 . . . . 0.0 110.754 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.786 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 63.1 m -127.17 137.0 52.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.97 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 p -114.96 15.29 17.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.414 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 t -94.12 178.7 5.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.445 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -80.62 -20.92 42.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.652 0.739 . . . . 0.0 109.557 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.691 ' HB2' HG22 ' A' ' 83' ' ' VAL . 37.7 mt-10 -107.62 160.85 25.16 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.648 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.24 35.54 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.068 2.512 . . . . 0.0 112.144 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.691 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.3 m -122.42 -179.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.349 -177.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t0 61.14 93.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.034 0.834 . . . . 0.0 109.843 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 47.8 m-85 -98.13 118.04 33.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.774 -168.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.771 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.435 ' OE1' ' HE2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.49 119.14 19.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.408 ' HH2' HG21 ' A' ' 59' ' ' ILE . 6.6 t90 -102.94 -83.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.865 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.722 HG13 HD12 ' A' ' 74' ' ' ILE . 8.8 pt -145.85 133.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.327 . . . . 0.0 111.624 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.5 133.8 52.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -131.11 144.91 51.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.049 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.3 p-10 -98.85 108.05 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.774 0.797 . . . . 0.0 108.957 171.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 tt -80.4 117.8 21.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.818 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.26 109.54 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -65.94 125.52 25.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.19 0.519 . . . . 0.0 111.178 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 16.6 p -81.01 117.81 21.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.964 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.7 116.26 16.23 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 120.863 0.364 . . . . 0.0 110.334 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.01 -22.88 8.62 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 119.986 -1.102 . . . . 0.0 112.965 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 48.3 mt-30 -100.23 139.47 35.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.821 0.343 . . . . 0.0 111.479 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.86 117.82 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -119.04 155.86 30.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.907 0.384 . . . . 0.0 110.968 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.83 104.99 14.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 171.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.33 120.17 32.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.626 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -92.8 103.14 15.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.96 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 68.4 mt -79.94 102.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 176.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -75.12 110.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.332 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.0 136.15 11.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.375 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -98.98 122.4 42.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 150.5 17.37 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.871 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 m -111.78 129.9 55.98 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.5 156.77 38.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.57 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -105.71 -24.74 12.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.128 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.786 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 66.0 m-85 -129.87 135.24 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.108 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 64.9 mt -114.75 121.4 43.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.775 ' HG3' HG12 ' A' ' 50' ' ' ILE . 31.0 ttt-85 -106.75 100.29 9.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.329 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.84 109.56 18.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.5 mt -107.1 100.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.452 HG23 HG13 ' A' ' 69' ' ' VAL . 49.1 mt -83.78 101.45 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.3 -48.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.765 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 44.5 m -150.28 167.5 26.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -148.24 168.61 22.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -75.62 -18.27 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.466 0.65 . . . . 0.0 109.721 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.36 -174.72 2.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -105.79 -17.19 14.45 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.48 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.85 126.96 55.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.679 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.48 127.83 53.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.9 t -127.73 127.44 43.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.673 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.1 p -101.97 137.72 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.192 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.56 -49.94 5.42 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.449 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . 19.9 m -160.04 145.33 15.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.13 149.67 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.651 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 30.6 t -150.77 152.1 33.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -126.59 125.09 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 41.0 mt-10 -99.97 133.16 44.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.049 0.452 . . . . 0.0 110.446 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.33 -145.7 10.05 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 2' ' ' ARG . 33.5 p -138.57 152.74 48.44 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.03 0.443 . . . . 0.0 110.988 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.57 118.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.969 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.2 t -86.9 -52.4 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.89 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.084 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 136' ' ' THR . 29.2 ptt180 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 62.51 47.74 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.398 0.618 . . . . 0.0 109.971 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 tt -95.16 142.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.908 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.38 91.43 2.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 57' ' ' VAL . 20.0 mt -82.63 10.75 6.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.661 -172.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 34.6 t -94.53 -3.57 49.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.693 0.282 . . . . 0.0 111.686 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 74.0 mt -87.18 149.9 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.281 0.562 . . . . 0.0 112.181 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 31' ' ' ILE . 8.5 p -67.51 -24.3 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.7 m -69.21 -18.05 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.51 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 59.3 mm-40 -89.8 -8.28 52.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.006 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.92 61.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.169 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -72.55 139.3 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 110.776 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -128.36 128.6 44.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.61 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.92 118.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.352 0.596 . . . . 0.0 110.087 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.605 HG23 ' HB ' ' A' ' 50' ' ' ILE . 11.2 tt -114.55 147.1 18.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.018 -174.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt 75.76 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.933 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.46 90.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.722 0.639 . . . . 0.0 111.91 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.157 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -114.87 135.83 53.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.022 0.439 . . . . 0.0 110.732 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.7 m -158.36 157.02 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.021 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 26.4 t70 -119.15 151.07 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -64.24 -41.53 96.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 -177.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 3.0 mptp? -97.83 -3.38 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 0.0 111.05 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.5 m80 -134.49 73.32 68.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -88.6 145.63 5.79 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.795 2.33 . . . . 0.0 113.106 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HA ' HG13 ' A' ' 30' ' ' ILE . 28.0 Cg_endo -65.46 -12.48 35.17 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.549 2.166 . . . . 0.0 111.312 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -60.63 -26.76 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.459 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 6.2 m-20 -93.02 2.04 56.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.776 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.503 HG13 ' HA ' ' A' ' 27' ' ' PRO . 57.3 mt -71.29 -40.39 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 9' ' ' SER . 19.0 pt -78.3 -12.77 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.275 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 18.6 t70 -70.15 -56.27 7.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.19 176.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.17 0.31 65.77 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.867 -0.682 . . . . 0.0 114.103 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -88.76 143.25 31.46 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 117.652 0.726 . . . . 0.0 110.762 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.03 18.83 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.601 2.867 . . . . 0.0 113.543 -175.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -72.45 -55.33 7.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.141 0.496 . . . . 0.0 110.922 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.3 p -131.81 122.8 26.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.786 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -103.34 164.33 11.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.627 ' HE3' HG12 ' A' ' 128' ' ' VAL . 90.7 t90 -87.6 129.66 35.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 0.0 110.855 -177.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -132.65 149.2 52.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.912 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 126' ' ' ALA . 8.1 t -88.51 161.57 16.91 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.24 0.543 . . . . 0.0 111.371 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -6.7 59.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.014 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.49 27.14 7.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.307 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 ttp -110.44 107.32 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.799 0.333 . . . . 0.0 110.733 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -107.19 146.0 32.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.237 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.42 155.3 81.61 Favored 'Cis proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.67 -1.388 . . . . 0.0 111.933 -1.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.518 HE21 HD12 ' A' ' 118' ' ' ILE . 12.1 pt20 -121.29 152.29 39.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.4 147.9 22.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.48 142.67 29.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.633 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.605 ' HB ' HG23 ' A' ' 16' ' ' ILE . 54.7 mt -111.12 135.0 51.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.667 0.27 . . . . 0.0 110.328 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.4 mt -112.79 118.71 58.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.989 0.424 . . . . 0.0 110.157 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 m -93.2 128.66 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.08 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 59' ' ' ILE . 81.7 m-85 -77.1 -26.67 53.59 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.187 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 69.04 1.02 3.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.793 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' HG13 ' A' ' 57' ' ' VAL . 51.5 pttt -150.08 -175.65 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -104.04 105.6 15.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.989 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HD22 ' A' ' 6' ' ' LEU . 12.0 m -128.61 169.9 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 0.0 110.895 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 9.2 ptm85 -130.39 137.84 50.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.242 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 79.6 mt -101.08 133.6 43.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -175.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.44 -37.53 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.442 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 54.8 ttp180 -151.64 150.93 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.147 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.4 129.98 52.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 51.5 t -91.14 102.25 13.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mm -107.68 111.63 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.312 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -122.64 102.15 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.113 0.482 . . . . 0.0 109.818 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.4 p -150.44 -177.4 5.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 100' ' ' LEU . 8.6 m-85 -141.13 157.02 45.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.321 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 76.58 -23.93 0.23 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 167.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.715 HG13 HG23 ' A' ' 118' ' ' ILE . 61.2 t -59.53 135.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -176.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.525 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 71.8 mt-30 -95.17 -81.39 0.4 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.235 0.54 . . . . 0.0 109.6 171.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -98.66 109.73 22.44 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.59 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.457 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.2 tp -104.44 111.85 24.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.184 177.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.796 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 22.2 mtpp -89.69 110.12 21.04 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.548 HD12 HG13 ' A' ' 89' ' ' ILE . 31.5 mt -100.5 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 136.27 36.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.113 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.8 ptmm? -106.91 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.472 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.778 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 48.4 t -111.55 144.22 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.48 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 3.8 m -132.47 23.22 4.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.901 0.858 . . . . 0.0 109.002 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.459 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 13.3 m -82.78 -178.24 7.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.121 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -85.58 -29.1 24.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 79' ' ' SER . 1.2 pm0 -99.18 159.81 29.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.931 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -79.05 32.91 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.0 2.467 . . . . 0.0 113.32 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 27.5 m -135.81 -173.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.159 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.31 73.75 0.46 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.633 0.583 . . . . 0.0 110.416 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 77' ' ' SER . 0.2 OUTLIER -123.13 161.82 23.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.451 -174.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.35 148.6 27.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.996 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.506 ' NE2' ' HB2' ' A' ' 90' ' ' GLU . 35.5 tp60 -64.23 99.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.58 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 11.1 t90 -87.36 -82.45 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.321 -176.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.548 HG13 HD12 ' A' ' 74' ' ' ILE . 8.5 pt -133.28 108.74 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.695 0.759 . . . . 0.0 111.137 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.506 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . 27.6 tt0 -89.13 96.74 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -100.34 114.65 28.33 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.044 -169.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.525 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.3 p-10 -97.05 143.61 27.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 171.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -126.1 169.98 12.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.754 0.311 . . . . 0.0 110.468 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.16 132.7 56.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -69.41 138.98 54.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 10.3 p -117.32 138.47 51.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.14 0.495 . . . . 0.0 111.888 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 118.34 36.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.769 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.63 30.84 63.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.875 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.708 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 41.6 tt0 -152.02 125.17 8.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.723 0.296 . . . . 0.0 110.267 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -86.46 123.18 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.15 91.47 7.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 111.627 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.13 95.01 7.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -103.04 106.47 17.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 9.8 pt-20 -85.81 99.02 11.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.882 0.849 . . . . 0.0 110.026 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mm -80.17 113.14 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.703 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 106' ' ' VAL . 6.1 p -83.25 87.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.023 0.916 . . . . 0.0 110.046 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.0 117.32 25.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.208 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.32 107.88 19.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.13 167.29 39.73 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.3 m -111.18 143.06 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.43 153.24 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 12.5 p -111.92 -27.44 8.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.789 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.778 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 96.9 m-85 -131.55 126.38 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.948 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 54.5 mt -114.78 124.27 51.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.506 ' HG3' HG12 ' A' ' 50' ' ' ILE . 66.7 ttt180 -106.52 105.57 15.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 72' ' ' LEU . 42.3 m-85 -89.11 106.66 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.796 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 49.5 mt -107.97 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.017 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.715 HG23 HG13 ' A' ' 69' ' ' VAL . 49.6 mt -88.7 96.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.51 -51.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -133.17 154.33 50.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.693 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.95 158.74 43.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.082 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.0 -6.94 54.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.064 0.459 . . . . 0.0 110.237 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -135.5 177.3 7.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -84.27 -21.81 30.96 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -110.72 122.38 47.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.286 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.421 ' HB3' HE22 ' A' ' 47' ' ' GLN . . . -112.82 108.77 17.88 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.6 p -112.3 133.92 54.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.672 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -103.59 133.81 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -97.32 -47.29 5.77 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.241 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.8 p -157.35 132.09 8.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 0.0 111.317 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 17.5 m -133.3 146.3 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.472 173.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 44.0 m -150.67 139.71 21.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.231 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.49 112.21 25.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -97.03 115.57 27.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.372 0.606 . . . . 0.0 110.672 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -160.05 -143.67 3.74 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.161 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 2' ' ' ARG . 24.5 p -136.67 145.38 44.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.816 0.341 . . . . 0.0 110.658 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.59 99.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.41 -45.94 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.241 0.543 . . . . 0.0 109.706 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 172.581 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.726 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.7 ptm180 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.581 0.705 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -152.17 92.58 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -142.15 141.74 28.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.142 -173.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.41 86.17 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.466 HD13 ' HB ' ' A' ' 57' ' ' VAL . 90.9 mt -71.94 -7.19 47.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -170.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 73.7 m -93.82 -4.14 50.69 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 38.7 mt -69.52 148.83 48.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.959 0.409 . . . . 0.0 111.632 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -69.69 -20.78 63.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -71.74 -20.79 61.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 54.2 mm-40 -93.57 10.84 30.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.051 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.73 15.9 78.48 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.218 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -85.44 141.86 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.056 0.428 . . . . 0.0 110.118 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.35 153.71 48.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.045 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG12 HG12 ' A' ' 51' ' ' ILE . 28.5 m -106.95 145.21 14.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 17' ' ' LEU . 15.8 tt -131.59 156.42 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.931 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.723 HD12 HG12 ' A' ' 16' ' ' ILE . 10.1 mp 74.02 -90.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.64 0.776 . . . . 0.0 110.344 -174.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.09 93.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.847 0.717 . . . . 0.0 111.921 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.508 ' HB ' ' NE2' ' A' ' 47' ' ' GLN . 4.3 m -58.29 -20.4 42.46 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB3' HG23 ' A' ' 42' ' ' THR . 45.9 m -124.42 129.71 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.414 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -153.26 133.29 13.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.502 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 16.1 t70 -116.63 156.11 27.61 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -80.18 -38.45 31.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.978 0.418 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HD3' ' H ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -82.17 -29.76 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 m-70 -111.08 83.58 3.89 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 174.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.764 ' HD2' HG21 ' A' ' 37' ' ' THR . 89.9 Cg_endo -80.1 147.95 18.97 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.403 2.069 . . . . 0.0 112.713 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.79 5.66 1.27 Allowed 'Trans proline' 0 C--O 1.223 -0.263 0 C-N-CA 123.435 2.757 . . . . 0.0 112.725 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.48 -25.64 30.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.05 0.453 . . . . 0.0 110.584 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.44 HD22 ' HB ' ' A' ' 37' ' ' THR . 58.3 m-20 -85.09 -17.5 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 tt -73.03 -31.82 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.433 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 7' ' ' CYS . 1.1 mt -63.47 -40.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.468 0.651 . . . . 0.0 110.217 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' HB3' HD22 ' A' ' 34' ' ' ASN . 0.6 OUTLIER -94.77 -20.8 19.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.137 -174.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.25 50.75 6.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.084 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.4 HD22 ' HB3' ' A' ' 32' ' ' ASP . 10.6 m-80 -86.38 119.84 71.78 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.536 0.208 . . . . 0.0 110.878 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.63 -20.22 56.8 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.19 2.594 . . . . 0.0 112.85 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.71 -32.53 74.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.764 HG21 ' HD2' ' A' ' 26' ' ' PRO . 98.2 m -141.42 115.34 9.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.208 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -97.76 142.79 29.1 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -99.9 139.73 35.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 125' ' ' PHE . 14.8 t -147.08 165.59 29.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.579 ' OG1' ' HA ' ' A' ' 125' ' ' PHE . 55.5 p -76.46 142.5 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.698 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 20' ' ' SER . 11.8 p -82.94 2.24 35.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 0.0 111.364 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.92 -16.51 18.3 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.92 -0.657 . . . . 0.0 113.18 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -87.97 105.01 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 111.43 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 93.3 m-85 -106.92 148.85 37.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.163 175.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 17.3 Cg_exo -68.03 155.7 87.7 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.889 -1.296 . . . . 0.0 112.886 -0.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.615 ' HB3' ' HB ' ' A' ' 118' ' ' ILE . 48.3 tp60 -107.02 127.76 53.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.194 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.11 129.36 56.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -148.27 127.92 13.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.474 . . . . 0.0 110.018 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' A' ' 16' ' ' ILE . 51.6 mt -106.78 127.71 62.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.612 HG12 HG12 ' A' ' 15' ' ' VAL . 53.3 mt -105.79 119.83 55.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.0 t -94.46 127.24 40.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.561 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 84.1 m-85 -67.08 -24.53 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 64.29 21.96 12.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.421 0.629 . . . . 0.0 109.902 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 20.0 pttm -168.19 176.7 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.666 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 139' ' ' SER . 54.2 m80 -105.07 109.42 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 137' ' ' VAL . 17.5 m -128.32 164.34 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.877 0.37 . . . . 0.0 111.519 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -123.5 124.07 42.03 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 75.4 mt -90.12 138.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.109 -172.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -103.08 -49.9 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.972 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 28.6 mtm180 -141.73 157.31 45.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 0.0 110.823 176.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.57 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 84.8 mt -109.99 133.05 53.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.033 174.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.553 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 99.0 t -114.24 105.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.635 HG23 HG12 ' A' ' 131' ' ' VAL . 10.7 mt -118.07 114.56 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.793 -175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -100.82 102.25 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.603 ' HB2' HG21 ' A' ' 69' ' ' VAL . 25.5 p -130.89 142.45 50.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.718 0.294 . . . . 0.0 110.964 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -110.53 141.88 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.844 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 67.39 -99.64 0.05 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.78 0.675 . . . . 0.0 110.748 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.825 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.5 t 48.95 -151.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.575 0.547 . . . . 0.0 109.754 -176.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.825 ' H ' HG12 ' A' ' 69' ' ' VAL . 10.1 tt0 172.68 -73.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 109.397 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -116.39 104.58 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.995 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 tp -110.36 114.53 28.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 64.8 tttp -94.08 111.37 23.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.4 mt -93.17 102.75 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -102.85 136.73 42.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 86' ' ' GLU . 17.2 ptmt -106.65 150.91 25.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.419 -173.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.575 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 35.1 t -143.01 145.16 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.7 p -120.57 19.93 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.1 m -90.61 170.45 10.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.449 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -88.94 -24.89 22.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.677 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.4 mp0 -91.86 156.03 42.89 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.79 36.89 0.54 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.561 2.174 . . . . 0.0 112.394 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.5 m -132.08 170.77 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 65.31 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.587 0.755 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -114.04 162.4 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.197 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 34.0 tt0 -141.54 135.79 30.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.026 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.14 134.29 52.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CZ2' ' HB1' ' A' ' 107' ' ' ALA . 7.4 t90 -130.98 -74.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -139.85 108.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.68 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE2' ' HG3' ' A' ' 73' ' ' LYS . 7.5 mp0 -97.53 118.41 33.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 170.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -108.67 113.06 25.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.045 0.45 . . . . 0.0 111.227 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.99 104.51 14.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.4 159.46 15.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 112.246 -170.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.93 137.19 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.656 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -61.84 105.46 0.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.324 0.39 . . . . 0.0 111.643 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -77.81 125.09 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.642 171.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.32 119.72 39.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.611 -173.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.47 27.73 72.83 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.773 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -149.39 135.24 18.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.544 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.24 100.09 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.309 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 96' ' ' THR . 54.6 tt0 -86.12 108.52 18.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.768 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.48 128.6 34.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.884 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.29 94.96 9.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.135 0.493 . . . . 0.0 110.616 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 42.9 mt-10 -88.24 97.04 10.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.027 172.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -100.62 120.97 50.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.65 -171.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 m -73.03 104.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' HB1' ' CZ2' ' A' ' 88' ' ' TRP . . . -137.86 103.3 4.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.492 -170.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 m-70 -98.99 110.18 22.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.147 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.24 157.24 29.56 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.417 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -107.87 132.9 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.04 154.82 31.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.992 0.425 . . . . 0.0 111.216 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.3 p -110.27 -37.26 5.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.987 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 87.7 m-85 -122.4 134.2 54.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.99 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 76' ' ' LYS . 57.6 mt -120.39 124.96 46.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 172.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.16 105.88 16.12 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -83.64 107.4 16.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.473 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.3 mt -101.12 102.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.96 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.615 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 39.8 mt -82.04 94.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.764 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 7.7 t -157.34 157.21 33.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.079 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.45 159.19 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.069 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -70.62 -21.15 62.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.252 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -130.84 -172.36 2.8 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -84.96 -26.09 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.579 ' HA ' ' OG1' ' A' ' 41' ' ' THR . 45.3 p90 -118.78 122.38 42.28 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.47 0.653 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.51 110.77 22.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.126 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.7 m -104.89 120.34 41.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.071 0.462 . . . . 0.0 110.914 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -103.97 128.14 57.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.18 -44.88 13.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.328 -173.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.4 p -161.4 148.84 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.177 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 64' ' ' ILE . 10.6 m -131.1 134.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.639 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.553 ' OG ' ' HB ' ' A' ' 63' ' ' VAL . 62.1 p -141.39 137.69 32.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.919 0.39 . . . . 0.0 111.364 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.42 102.98 12.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 58.0 mt-10 -94.22 125.36 38.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.271 0.558 . . . . 0.0 110.654 -173.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.78 -126.46 1.01 Allowed Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.749 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -146.53 149.73 34.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.912 0.387 . . . . 0.0 111.927 -178.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 57' ' ' VAL . 29.7 m -88.52 146.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.84 -32.74 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.648 0.737 . . . . 0.0 109.575 175.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 56' ' ' HIS . 5.3 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.503 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.972 ' HA ' HG22 ' A' ' 136' ' ' THR . 51.9 mtp180 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.578 0.228 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.45 79.13 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.473 0.654 . . . . 0.0 109.489 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.6 tt -113.45 141.55 28.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.085 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HB3' ' HG ' ' A' ' 8' ' ' LEU . 6.9 m-20 -70.78 95.86 1.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.396 0.617 . . . . 0.0 110.436 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 22.1 mt -75.27 -15.01 60.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.521 -168.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 79.8 m -94.12 -3.35 51.21 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.977 -0.452 . . . . 0.0 112.217 -174.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 5' ' ' ASP . 16.9 mt -77.02 158.99 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -62.38 -29.03 70.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.108 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 p -66.03 -26.28 67.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.113 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.83 -0.7 57.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.29 9.21 85.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.19 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 118.95 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 110.293 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -103.48 153.23 20.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.044 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 HG12 ' A' ' 51' ' ' ILE . 34.6 m -92.22 149.47 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.04 0.448 . . . . 0.0 110.56 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 50' ' ' ILE . 14.9 tt -139.7 152.78 22.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tt 73.67 -88.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.751 0.821 . . . . 0.0 110.142 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.18 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.716 0.635 . . . . 0.0 111.773 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.949 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -107.57 109.61 21.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.21 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 p -128.27 103.46 7.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.438 0.637 . . . . 0.0 110.653 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 18.1 t0 -92.48 150.44 20.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.043 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.72 -25.42 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.284 0.564 . . . . 0.0 110.045 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -91.82 -17.01 25.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.201 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.0 m80 -138.76 72.44 41.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.436 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 46.9 Cg_endo -70.87 149.33 59.63 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.109 1.873 . . . . 0.0 112.003 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 35.3 Cg_exo -61.81 -13.27 29.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.134 2.556 . . . . 0.0 112.221 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -63.26 -21.93 66.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.47 HD21 ' HD2' ' A' ' 26' ' ' PRO . 93.5 m-20 -76.13 -12.08 60.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.565 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 130' ' ' SER . 56.0 mt -70.13 -23.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.721 0.772 . . . . 0.0 109.442 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -111.93 -106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.608 172.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 71.93 -51.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.301 0.64 . . . . 0.0 112.58 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.39 -25.83 18.52 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.781 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.87 142.36 41.94 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 117.541 0.671 . . . . 0.0 111.179 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.652 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 88.1 Cg_endo -85.5 8.2 4.7 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.881 2.387 . . . . 0.0 112.898 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -90.42 -65.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.839 -175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -91.38 145.58 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.633 0.254 . . . . 0.0 111.025 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -138.62 177.67 7.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.672 ' HE3' HG12 ' A' ' 128' ' ' VAL . 87.2 t90 -110.51 136.24 49.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.618 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.9 t -137.16 145.31 43.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 44' ' ' MET . 6.2 m -88.66 135.93 33.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.569 -178.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -81.62 39.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.042 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 10.99 82.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.728 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.425 ' H ' HG22 ' A' ' 41' ' ' THR . 27.8 ttt -83.92 88.18 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 94.1 m-85 -106.59 133.7 20.14 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.415 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 5.8 Cg_endo -86.39 153.18 48.52 Favored 'Cis proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.502 -1.457 . . . . 0.0 112.056 -1.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.506 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 1.6 pm0 -107.02 138.21 43.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.094 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -129.57 129.57 44.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.45 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -144.64 145.6 31.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.007 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 16' ' ' ILE . 52.1 mt -119.67 137.08 54.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.19 -176.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.596 HG12 HG12 ' A' ' 15' ' ' VAL . 57.0 mt -115.65 122.11 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 10.1 p -100.03 126.88 46.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.87 -25.35 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.47 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.3 t60 69.0 14.03 8.82 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.502 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 139' ' ' SER . 51.2 pttt -163.67 -175.33 4.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.116 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -96.32 116.64 29.36 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.713 -175.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 166.6 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 138' ' ' VAL . 98.5 mtt180 -127.48 124.42 38.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.188 171.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 72.7 mt -89.72 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.882 -177.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 108' ' ' HIS . 5.8 tp10 -119.89 -38.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 27.3 mtp-105 -144.05 170.98 14.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 95.9 mt -130.39 134.08 46.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.833 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -123.02 104.65 14.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.763 HG23 HG12 ' A' ' 131' ' ' VAL . 16.9 mt -119.46 135.98 58.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.92 0.39 . . . . 0.0 111.405 -172.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.04 102.88 10.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' HD22 ' A' ' 93' ' ' LEU . 17.8 m -131.84 166.52 21.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.767 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 17.9 m-85 -122.22 140.45 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 174.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 65.7 -99.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.392 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 72' ' ' LEU . 48.6 t 48.34 93.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 123.747 0.654 . . . . 0.0 112.684 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 121' ' ' ALA . 26.2 tt0 -85.25 -47.83 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 110.072 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -130.27 105.93 8.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.253 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 38.7 tp -109.34 109.71 20.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.405 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 84.5 tttt -89.9 107.97 19.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.557 ' HB ' HG13 ' A' ' 89' ' ' ILE . 57.8 mt -92.52 100.33 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 19.2 tt0 -96.01 136.92 35.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.568 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 18.6 ttmt -106.62 135.57 47.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.704 -173.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.747 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 46.4 m -131.37 126.62 35.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.74 18.67 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 0.0 110.32 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -83.09 179.4 7.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.221 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.665 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 13.4 ptmm? -76.41 -24.58 54.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.636 0.731 . . . . 0.0 109.831 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.665 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 42.6 mt-10 -119.23 171.4 5.43 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.642 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.22 45.35 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.051 2.5 . . . . 0.0 112.455 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.57 -173.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.874 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.41 88.83 0.1 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.507 0.67 . . . . 0.0 109.374 -174.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 40.2 m-85 -109.09 112.23 24.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.703 -170.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.79 141.91 49.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -77.3 101.26 6.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.615 0.721 . . . . 0.0 109.534 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 10.6 t90 -75.31 -60.8 2.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.128 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.557 HG13 ' HB ' ' A' ' 74' ' ' ILE . 1.5 pt -149.09 103.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.193 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 1.0 OUTLIER -83.04 97.08 8.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -100.6 175.03 5.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.739 0.781 . . . . 0.0 112.174 -172.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -140.22 122.46 15.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.256 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 66' ' ' SER . 52.3 tp -91.28 106.28 18.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.13 0.491 . . . . 0.0 110.329 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -81.38 98.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -70.91 121.07 17.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -174.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -71.39 136.95 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.307 175.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.64 116.31 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.343 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.67 24.02 70.95 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.37 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.713 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 44.7 tt0 -140.5 146.99 38.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 1.7 tt -84.0 115.39 22.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -87.73 102.68 14.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.844 0.354 . . . . 0.0 110.116 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.42 130.37 42.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 53.1 tt0 -92.2 93.57 8.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.766 0.793 . . . . 0.0 109.756 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.37 108.93 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.181 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 60.9 mt -121.65 135.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.601 -176.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.02 89.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.53 111.59 13.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.875 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.577 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.1 p80 -121.28 114.4 21.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.0 111.531 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.14 169.1 40.78 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.008 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m -94.28 129.7 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.175 0.488 . . . . 0.0 110.155 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.37 151.61 31.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.722 0.296 . . . . 0.0 110.614 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -108.49 -35.65 6.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.48 0.657 . . . . 0.0 110.049 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.747 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 70.2 m-85 -124.28 137.58 54.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.793 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.47 116.99 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -106.78 103.74 13.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.71 117.54 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.525 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.6 mt -116.79 108.14 24.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.8 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.506 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 42.7 mt -89.59 118.16 34.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 58.4 t -81.05 -46.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.9 t -160.2 164.63 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' A' ' 70' ' ' GLN . . . -130.88 178.88 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.16 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -85.47 -5.65 59.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 110.415 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.62 176.02 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -78.9 -7.51 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.97 158.17 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.6 135.2 34.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.592 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -133.67 143.11 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.024 0.44 . . . . 0.0 111.433 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.672 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.7 p -134.19 137.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.652 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 11.3 t-80 -91.25 -65.03 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.231 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 44.0 m -149.3 138.56 21.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 64' ' ' ILE . 35.8 m -110.74 141.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.086 172.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.607 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 39.4 m -144.29 150.92 38.63 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -128.13 139.03 52.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 45.6 mt-10 -94.18 156.24 16.65 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 150.28 -154.97 25.98 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.634 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 2' ' ' ARG . 34.2 p -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.668 0.27 . . . . 0.0 110.439 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.44 114.96 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.344 0.593 . . . . 0.0 110.418 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 43.6 t -72.86 -41.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.796 0.808 . . . . 0.0 109.514 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 5.2 m . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.026 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 120.992 0.425 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -155.47 137.63 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.104 -175.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 2.0 m-20 -64.95 96.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.467 178.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 57' ' ' VAL . 95.3 mt -80.85 -4.28 54.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.577 ' O ' HD13 ' A' ' 31' ' ' ILE . 75.6 m -90.47 -3.8 57.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.736 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 5' ' ' ASP . 50.5 mt -58.2 140.41 53.09 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.176 0.512 . . . . 0.0 111.563 -176.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -18.32 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.843 174.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -80.76 -10.03 59.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.047 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -101.77 -1.53 32.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.763 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.22 19.72 48.83 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.95 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -97.04 134.72 40.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.361 . . . . 0.0 110.045 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 147.17 47.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.259 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.695 HG12 HG12 ' A' ' 51' ' ' ILE . 7.9 m -95.74 106.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.849 0.833 . . . . 0.0 110.66 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.494 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.9 tt -95.77 161.91 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.385 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' N ' HG12 ' A' ' 16' ' ' ILE . 3.8 tp 76.16 -101.34 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.159 0.584 . . . . 0.0 110.924 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 59.48 111.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 112.049 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -58.42 -28.55 65.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.79 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.406 ' HB3' HG23 ' A' ' 42' ' ' THR . 60.9 m -137.53 81.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.059 0.456 . . . . 0.0 111.52 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -90.44 126.9 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.708 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 12.1 t70 -92.39 146.92 23.31 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -28.73 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -172.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.708 ' HG2' ' OD1' ' A' ' 22' ' ' ASP . 22.1 pttm -89.23 -29.0 19.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.495 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 2.1 t60 -130.36 88.4 47.65 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.544 171.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 35.6 Cg_endo -63.69 156.86 54.91 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.815 2.343 . . . . 0.0 112.561 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.457 ' O ' HG22 ' A' ' 30' ' ' ILE . 17.2 Cg_exo -67.84 5.6 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.585 2.857 . . . . 0.0 113.478 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.0 -24.9 64.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 29' ' ' ASN . 1.5 m120 -81.0 1.93 29.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG23 HG13 ' A' ' 31' ' ' ILE . 9.3 tt -79.56 -7.96 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 109.43 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 7' ' ' CYS . 23.7 mt -137.93 -96.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.618 172.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 68.43 -53.65 0.54 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.321 1.048 . . . . 0.0 112.484 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.16 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.948 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 4.1 m120 -89.62 128.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 6.0 Cg_exo -80.19 19.59 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.952 2.434 . . . . 0.0 112.729 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.948 ' HG2' ' HB3' ' A' ' 34' ' ' ASN . 13.1 mm-40 -65.15 -52.57 54.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.998 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.733 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -141.08 -173.06 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.934 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.733 ' H ' HG22 ' A' ' 37' ' ' THR . 10.3 p90 -149.21 -178.32 6.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.545 0.212 . . . . 0.0 110.732 -176.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -103.48 131.28 50.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 t -116.47 166.03 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.627 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.45 ' HA ' HE22 ' A' ' 47' ' ' GLN . 67.8 p -89.39 153.84 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -176.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.406 HG23 ' HB3' ' A' ' 20' ' ' SER . 37.6 p -82.66 -29.87 29.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 174.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.36 22.22 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.322 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.61 68.46 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -76.2 152.94 84.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.464 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.798 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 72.0 Cg_endo -79.59 138.27 46.36 Favored 'Cis proline' 0 C--O 1.234 0.278 0 C-N-CA 123.323 -1.532 . . . . 0.0 112.607 -0.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 41' ' ' THR . 6.8 mt-30 -108.17 131.55 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 10.8 pt-20 -124.33 157.23 35.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.658 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -148.45 145.68 28.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.853 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' HB ' HG23 ' A' ' 16' ' ' ILE . 70.8 mt -114.28 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.393 -174.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.695 HG12 HG12 ' A' ' 15' ' ' VAL . 24.9 mt -93.84 122.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 t -102.8 120.98 41.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.2 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.0 m-85 -76.74 -24.22 53.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.768 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 65.58 6.79 4.0 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.248 -175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 57' ' ' VAL . 53.0 pttt -155.49 169.19 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.878 ' HB3' ' HB3' ' A' ' 139' ' ' SER . 10.8 t60 -98.05 105.79 17.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.06 0.457 . . . . 0.0 110.32 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.634 ' HB ' HD13 ' A' ' 6' ' ' LEU . 23.5 m -112.86 154.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.999 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 52.2 ttp180 -100.24 111.91 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.8 mt -90.64 125.76 43.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.953 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -123.57 -13.47 7.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.611 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.497 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 5.8 mmt180 -148.8 157.81 43.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.038 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.777 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 7.4 mp -131.43 132.69 44.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.91 102.23 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 HG12 ' A' ' 131' ' ' VAL . 20.0 mm -100.71 101.64 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.037 -177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -99.66 101.99 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.632 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 p -159.24 166.94 30.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 80.4 m-85 -118.88 147.77 43.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.127 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 64.27 -137.0 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.438 0.461 . . . . 0.0 110.431 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.698 ' HB ' HD12 ' A' ' 93' ' ' LEU . 57.7 t 71.58 121.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.34 0.59 . . . . 0.0 111.213 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -97.45 -72.59 0.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 30.2 m -108.12 107.28 17.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 0.0 110.965 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD11 ' HD2' ' A' ' 116' ' ' PHE . 55.4 tp -108.09 109.41 20.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.277 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.627 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 68.7 mttm -89.91 120.57 31.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.898 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 89' ' ' ILE . 31.1 mt -106.72 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -96.16 147.94 23.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.893 178.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 10.2 ptmm? -123.62 154.68 38.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.023 0.44 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 30.2 t -138.94 143.15 38.49 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -112.16 14.18 20.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.34 0.59 . . . . 0.0 110.417 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 t -87.99 -176.41 5.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.739 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 50.8 mtpt -103.78 -10.15 18.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.254 0.55 . . . . 0.0 110.023 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 30.4 tt0 -106.6 141.9 23.79 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.757 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 16.0 Cg_exo -70.13 44.72 0.46 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.37 2.713 . . . . 0.0 113.477 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.99 173.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.462 0.172 . . . . 0.0 110.631 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 55.6 69.15 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.844 0.715 . . . . 0.0 111.675 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.76 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 96.4 m-85 -94.15 141.15 28.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.362 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -117.24 130.9 56.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.903 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.576 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt0 -59.69 123.02 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.35 -173.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 12.0 t90 -94.61 -67.26 0.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.645 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 74' ' ' ILE . 6.1 pt -144.72 137.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.189 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.22 123.44 46.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -119.62 139.81 51.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 0.0 111.176 -170.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.26 145.9 40.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.698 HD12 ' HB ' ' A' ' 69' ' ' VAL . 97.4 mt -117.75 174.35 6.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.641 0.258 . . . . 0.0 110.474 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.9 143.62 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -77.48 99.42 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.074 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.992 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 11.9 p -128.7 126.09 39.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.015 0.436 . . . . 0.0 111.926 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.98 117.35 26.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.82 8.31 67.94 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.683 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.992 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.5 mm100 -112.78 110.93 21.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -82.87 106.34 14.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -88.39 96.9 10.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -82.4 107.56 15.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 14.8 mm-40 -92.09 115.57 28.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.457 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mm-40 -86.57 103.42 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.385 173.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.777 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 75.3 mt -103.02 117.43 48.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.99 92.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.063 0.935 . . . . 0.0 110.311 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -126.64 118.88 25.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.3 p80 -108.1 108.31 19.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -174.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.03 -172.09 32.08 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.852 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.6 m -137.01 137.11 39.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -155.1 158.89 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.687 0.28 . . . . 0.0 110.836 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.0 p -109.71 -31.07 7.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.6 m-85 -127.27 131.01 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.128 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.5 mt -115.31 123.45 48.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.478 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.464 ' HD2' ' CD2' ' A' ' 85' ' ' PHE . 76.4 ttt180 -106.54 102.45 11.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -177.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.3 m-85 -90.84 110.48 21.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.206 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.627 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 58.0 mt -107.52 107.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.518 HG23 HG13 ' A' ' 69' ' ' VAL . 47.8 mt -90.87 99.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.798 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 50.7 t -67.86 -45.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.203 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.6 t -158.1 175.15 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.03 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.02 174.62 11.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.09 -15.31 58.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 0.0 110.46 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.55 162.14 33.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -70.65 -20.18 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.551 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.5 122.29 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.94 16.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.716 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 t -135.96 126.51 26.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.427 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.56 125.48 59.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.605 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 20.0 t-80 -85.33 -46.47 10.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.412 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.8 m -161.19 134.2 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.964 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 64' ' ' ILE . 3.1 m -115.57 90.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.43 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 20.9 m -95.07 153.64 17.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.595 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.11 119.81 37.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 61.3 mt-10 -102.83 149.97 23.96 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.316 0.579 . . . . 0.0 111.084 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 156.73 -137.64 5.54 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -176.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 p -145.35 153.99 41.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.182 0.491 . . . . 0.0 110.684 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.57 118.22 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.562 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.69 -38.3 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.691 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.878 ' HB3' ' HB3' ' A' ' 56' ' ' HIS . 21.3 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.611 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 2' ' ' ARG . 41.0 ttp180 . . . . . 0 C--O 1.231 0.106 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt 58.71 41.3 22.13 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.831 0.824 . . . . 0.0 110.099 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 tt -95.41 141.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.588 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -65.23 107.19 1.51 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' HB ' ' A' ' 57' ' ' VAL . 37.0 mt -90.17 -8.96 49.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.1 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -94.47 -16.44 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.956 0.408 . . . . 0.0 110.985 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.426 HD22 ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -60.86 140.62 57.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.622 -175.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.2 p -63.3 -17.39 62.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.147 177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.426 ' OG ' HD22 ' A' ' 8' ' ' LEU . 8.4 m -71.24 -17.38 62.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.33 0.586 . . . . 0.0 109.949 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -97.12 -1.15 45.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 12.75 72.87 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.859 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.8 m -72.16 133.86 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.489 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -111.83 153.0 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.668 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 27' ' ' PRO . 14.9 m -101.87 140.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.059 174.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.942 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.6 tt -130.93 146.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -175.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.5 tt 71.8 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.802 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.42 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.71 0.631 . . . . 0.0 111.814 -173.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -40.75 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.572 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 m -92.15 89.35 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -120.5 117.46 27.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.61 151.52 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.423 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.79 -30.69 32.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.941 0.401 . . . . 0.0 110.32 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.13 -22.03 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.077 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -131.44 76.39 75.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.754 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 6.2 Cg_exo -79.72 156.91 24.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.273 2.649 . . . . 0.0 112.341 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.7 Cg_exo -67.69 -7.36 19.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.371 2.714 . . . . 0.0 113.78 -175.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -11.57 47.43 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.497 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -70.23 -16.23 63.02 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.233 173.305 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 39' ' ' TRP . 47.4 mt -56.75 -56.3 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 9' ' ' SER . 0.7 OUTLIER -84.05 -91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.559 173.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 32.5 t70 74.26 -51.18 0.68 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 165.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.28 18.03 10.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.202 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' OG1' ' A' ' 37' ' ' THR . 52.5 m-80 -134.6 138.18 29.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 13.2 Cg_exo -71.49 -29.42 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.769 2.313 . . . . 0.0 112.447 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -83.16 -16.87 44.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.649 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 34' ' ' ASN . 8.3 p -91.35 139.09 31.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.237 -0.29 . . . . 0.0 110.235 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -154.0 167.25 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.418 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.6 t90 -119.2 140.57 49.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -133.51 165.92 23.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -100.07 141.76 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p -87.84 24.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.87 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.88 -0.69 87.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.619 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 ttt -76.88 85.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.61 0.243 . . . . 0.0 110.682 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 96.7 m-85 -106.92 128.74 25.53 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.357 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 92.3 Cg_endo -88.05 154.62 39.52 Favored 'Cis proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.217 -1.576 . . . . 0.0 112.715 -0.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.736 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -127.64 175.4 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.772 176.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.59 144.4 25.25 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.988 0.423 . . . . 0.0 111.018 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.942 ' HB ' HG23 ' A' ' 16' ' ' ILE . 19.2 mt -105.83 129.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -114.06 120.95 65.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.1 p -103.56 133.03 49.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.078 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 98.0 m-85 -70.69 -13.0 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.278 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 69.55 9.43 7.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.018 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 139' ' ' SER . 45.1 pttt -168.28 -176.3 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.324 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.96 117.67 30.03 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.527 ' HB ' HD13 ' A' ' 6' ' ' LEU . 21.5 m -131.97 168.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.082 0.467 . . . . 0.0 111.639 -176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.528 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 55.3 mtt-85 -118.97 125.3 49.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.004 172.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -97.97 127.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -120.83 -34.35 3.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.768 0.318 . . . . 0.0 110.602 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 mtp-105 -146.36 141.59 27.39 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.385 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -110.16 115.8 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 58.9 t -91.13 100.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 131' ' ' VAL . 35.7 mt -115.62 115.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.473 0.654 . . . . 0.0 111.936 -174.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HG3' HD21 ' A' ' 100' ' ' LEU . 47.2 tt0 -96.46 102.79 14.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.44 171.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 p -122.05 153.61 38.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.199 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 m-85 -135.97 138.13 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.681 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 72.39 -10.75 0.88 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.878 0.736 . . . . 0.0 112.414 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.61 144.08 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -113.82 -63.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 109.662 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -119.38 105.32 11.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 118' ' ' ILE . 41.6 tp -108.95 104.63 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -89.78 121.01 31.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.673 HD12 HG13 ' A' ' 89' ' ' ILE . 43.4 mt -100.09 107.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 14.3 mt-10 -95.72 134.52 38.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 19.0 ttmt -106.96 131.09 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.507 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 75.4 m -131.33 130.04 42.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.834 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -117.21 27.48 9.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.603 0.716 . . . . 0.0 109.669 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -94.76 -178.68 4.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.834 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 24.0 pttm -77.49 -24.93 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.597 0.713 . . . . 0.0 109.892 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 14.3 mt-10 -119.15 158.16 49.03 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.82 70.43 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.976 1.784 . . . . 0.0 111.272 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.83 159.81 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.555 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.78 85.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.378 0.609 . . . . 0.0 110.195 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 93.9 m-85 -107.99 110.05 21.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 -176.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.59 142.1 30.2 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -73.08 96.43 2.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 109.33 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.51 -67.04 0.76 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.084 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.673 HG13 HD12 ' A' ' 74' ' ' ILE . 4.4 pt -145.32 115.03 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.922 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -91.74 119.22 31.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 172.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -99.77 123.4 43.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.394 0.616 . . . . 0.0 111.635 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -94.8 120.98 35.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.804 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -107.08 145.31 32.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.721 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.69 143.99 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -66.97 103.77 1.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.665 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 40.2 p -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.082 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.16 124.37 48.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.56 -24.37 3.74 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.006 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 58.8 tt0 -96.07 111.17 23.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 110.211 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.0 tt -82.59 109.22 16.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -85.67 94.73 9.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.306 0.574 . . . . 0.0 111.553 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.11 97.37 10.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -92.29 116.06 28.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 111.468 -171.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -80.1 98.39 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.475 173.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 72.1 mt -90.47 97.88 7.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.87 0.367 . . . . 0.0 110.601 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.63 100.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 110.15 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.58 117.49 12.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.391 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -98.99 112.75 24.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -174.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 -174.18 36.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.4 m -136.7 139.72 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.36 155.94 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.7 p -109.99 -33.79 6.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.061 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 93.0 m-85 -127.3 128.29 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.095 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.4 mt -115.03 125.61 53.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.557 ' CG ' HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -106.45 103.44 12.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 72' ' ' LEU . 50.3 m-85 -85.98 112.22 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.197 177.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.9 mt -111.42 110.67 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.736 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 50.6 mt -84.24 93.89 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.5 t -64.52 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.005 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.8 m -156.41 157.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.99 167.03 21.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -86.17 -14.64 43.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.966 0.412 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -120.86 171.27 8.74 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.932 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -11.19 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.796 0.332 . . . . 0.0 111.032 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -136.31 154.16 50.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.693 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.07 139.01 28.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -131.09 147.34 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.239 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.418 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.8 p -135.2 155.04 36.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -131.13 -63.7 0.84 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.214 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -110.74 105.12 13.87 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.556 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.633 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -119.02 90.76 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.069 171.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 49.8 m -100.16 146.22 27.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.323 -172.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -114.35 109.12 17.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -94.43 119.88 33.82 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -169.69 -131.43 1.32 Allowed Glycine 0 N--CA 1.437 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.84 177.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.3 p -140.49 171.15 14.53 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 57' ' ' VAL . 16.1 m -108.24 126.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.175 0.512 . . . . 0.0 110.917 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.73 -40.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 47.9 m . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.666 178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.356 0.122 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 18.4 pttp -135.3 105.53 6.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.863 0.839 . . . . 0.0 110.614 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.2 tt -111.09 154.29 12.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.156 175.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.74 105.12 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 109.982 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 35.4 mt -90.66 11.36 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.132 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -93.05 -3.5 54.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.41 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 30.0 mt -87.95 143.58 27.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.335 0.588 . . . . 0.0 111.388 -172.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' HB3' HG13 ' A' ' 31' ' ' ILE . 52.8 p -73.66 -17.31 61.16 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.298 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -91.49 -11.41 37.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 5.2 tm-20 -76.18 -33.4 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.286 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.62 16.64 3.34 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.369 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 m -110.77 147.35 34.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 0.237 . . . . 0.0 110.447 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -126.3 153.59 44.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 110.676 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.2 139.05 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.889 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.2 tt -137.78 133.79 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.485 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.6 tt 67.38 94.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.46 129.65 56.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -54.48 -37.1 64.86 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.558 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 t -152.34 161.82 42.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 48.1 t -168.36 151.86 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -177.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -118.42 141.41 48.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.39 -8.57 54.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.961 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -31.91 49.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -141.89 89.39 8.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.915 171.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.557 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 58.2 Cg_endo -70.44 158.67 55.38 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.105 2.537 . . . . 0.0 112.928 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.588 ' HD3' ' OG ' ' A' ' 21' ' ' SER . 41.4 Cg_exo -58.22 -24.8 68.98 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.698 2.932 . . . . 0.0 113.58 -176.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' OE1' ' HB2' ' A' ' 26' ' ' PRO . 1.4 pm0 -61.44 -14.61 29.81 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.318 -0.239 . . . . 0.0 111.55 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 27.8 t-20 -68.89 -22.87 64.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.491 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 tt -67.21 -26.2 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.414 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 9' ' ' SER . 14.9 pt -107.63 -16.89 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.415 0.626 . . . . 0.0 110.451 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.4 t70 -65.7 -50.74 63.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.346 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.32 5.73 32.08 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.588 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -83.8 117.25 68.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.551 0.675 . . . . 0.0 110.028 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -83.47 19.43 1.34 Allowed 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.544 2.829 . . . . 0.0 113.716 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.71 -60.22 2.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.529 0.68 . . . . 0.0 110.86 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 m -151.49 164.05 37.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.336 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.856 ' HB3' ' HB2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -94.02 171.93 8.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -85.29 125.59 33.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -132.07 143.88 50.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.158 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 158.81 19.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.253 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.8 p -82.66 21.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.47 48.7 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.606 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.518 ' CE ' ' HA ' ' A' ' 44' ' ' MET . 7.8 mmt -80.8 88.94 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -107.16 146.75 33.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.784 174.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 166.93 81.47 Favored 'Cis proline' 0 N--CA 1.462 -0.367 0 C-N-CA 123.09 -1.629 . . . . 0.0 112.095 -0.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.805 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 51.2 mt-30 -107.22 148.96 28.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 10.2 pt-20 -158.35 122.24 4.02 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.747 168.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 39.9 p90 -128.69 141.21 51.41 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.435 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.48 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.0 mt -109.69 122.76 64.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -174.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -107.74 120.04 58.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.3 p -106.74 127.33 53.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.48 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 96.0 m-85 -70.57 -13.52 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.745 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 66.22 13.77 9.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.347 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 22.7 pttm -169.14 167.09 10.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -87.36 107.07 18.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 0.0 110.331 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.74 168.68 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 111.11 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.4 ttm180 -117.56 128.41 54.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.481 173.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.06 133.14 46.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.291 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.584 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 35.5 tt0 -105.5 -40.73 5.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.966 0.412 . . . . 0.0 110.002 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 65.6 mtt-85 -141.47 146.91 37.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.203 0.525 . . . . 0.0 111.623 -175.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 60.4 mt -115.25 105.66 13.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.141 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 54.6 t -91.19 95.71 5.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.838 HG23 HG12 ' A' ' 131' ' ' VAL . 28.7 mt -107.67 116.05 50.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -172.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 101' ' ' GLN . 47.2 mt-30 -109.69 110.36 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.848 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -136.16 167.82 20.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.299 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -136.13 144.38 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.718 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 75.17 -23.38 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.836 0.854 . . . . 0.0 112.984 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 118' ' ' ILE . 55.0 t -54.99 136.03 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -114.97 -50.77 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 6.4 m -120.16 113.87 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.776 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD11 ' HD2' ' A' ' 116' ' ' PHE . 30.9 tp -122.46 107.74 12.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 58.0 tttm -101.49 109.06 20.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.729 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -95.59 111.79 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.25 151.85 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 178.214 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 88' ' ' TRP . 16.1 ptpt -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.7 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 9.5 t -143.17 143.95 31.99 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 170.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.6 p -113.29 7.82 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.985 0.421 . . . . 0.0 111.427 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -91.85 178.96 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.632 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -103.65 9.55 37.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.903 0.859 . . . . 0.0 109.207 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 26.0 mt-10 -119.24 139.86 28.15 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.567 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 7.6 Cg_exo -74.62 45.97 1.37 Allowed 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.142 2.561 . . . . 0.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.85 143.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.833 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 63.78 97.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.907 174.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 70.4 m-85 -113.0 145.31 41.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.798 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -102.41 144.52 30.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.638 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 22.9 pt20 -67.84 131.69 46.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 10.3 t90 -118.92 -72.75 0.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.97 100.56 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.886 0.374 . . . . 0.0 111.336 -175.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.73 101.06 12.72 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -115.04 140.56 48.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.7 134.77 46.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.544 173.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.01 172.44 7.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.43 143.6 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.17 104.11 2.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.449 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.2 p -112.45 121.97 46.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.413 175.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.3 141.11 36.49 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.95 -40.42 2.66 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.051 -173.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.6 mt-30 -92.84 110.84 22.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.48 120.59 15.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.8 tm0? -69.55 97.68 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -119.99 102.81 8.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.332 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 47.2 mm-40 -92.32 120.95 33.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -99.58 89.51 4.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 57.3 mt -94.95 110.08 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.938 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.39 88.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.069 0.938 . . . . 0.0 109.598 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB2' HG22 ' A' ' 105' ' ' ILE . . . -123.56 114.11 19.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.72 -172.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -99.08 122.33 42.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.522 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 168.82 40.63 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.46 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m -131.31 114.08 14.58 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.09 161.49 38.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.891 0.377 . . . . 0.0 111.054 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.7 p -108.15 -33.22 7.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.259 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.455 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 40.4 m-85 -125.24 131.5 53.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.381 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 mt -114.91 127.19 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.726 0.298 . . . . 0.0 110.214 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -107.43 103.66 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 76.5 m-85 -90.03 103.52 16.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 46.3 mt -98.23 98.26 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.805 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 48.1 mt -85.27 90.63 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 46.6 t -60.37 -64.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -175.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.6 m -137.31 159.06 43.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.354 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.5 174.09 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.309 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -83.08 -5.8 59.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.53 175.23 9.78 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -88.59 -7.81 55.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.097 0.475 . . . . 0.0 110.07 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -127.97 122.36 32.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.788 175.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.86 150.44 28.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.5 p -142.64 133.81 26.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.881 0.372 . . . . 0.0 111.759 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.64 147.01 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 58.7 t-80 -130.18 -50.48 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.079 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 m -115.32 105.32 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.111 0.481 . . . . 0.0 111.264 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.838 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -116.81 90.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 40.0 m -90.69 129.01 36.83 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.662 -170.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.35 104.79 14.58 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.931 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 18.1 mt-10 -94.43 124.25 38.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.764 0.792 . . . . 0.0 110.345 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 176.12 -148.8 9.44 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.627 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.66 155.37 40.95 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.556 0.678 . . . . 0.0 111.535 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.5 m -71.81 138.27 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.251 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.82 -48.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.354 -178.484 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -147.91 113.32 5.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 111.098 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.521 HG23 ' HG ' ' A' ' 6' ' ' LEU . 14.3 tt -124.54 154.54 32.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.89 174.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.12 86.23 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.503 0.668 . . . . 0.0 111.139 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 48.0 mt -79.98 10.92 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.432 -175.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 131' ' ' VAL . 46.0 t -94.58 -9.7 34.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.534 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.46 139.93 39.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 111.694 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' HD12 ' A' ' 31' ' ' ILE . 9.4 p -65.88 -18.78 65.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.159 174.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -71.78 -21.85 61.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.697 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.67 -19.48 27.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.878 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.38 7.65 13.85 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.345 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 m -76.29 123.41 25.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.05 0.453 . . . . 0.0 110.648 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -125.32 120.33 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.247 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -85.09 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.187 0.518 . . . . 0.0 111.191 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.548 ' CG1' ' HB ' ' A' ' 50' ' ' ILE . 3.9 pt -124.31 166.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.28 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 ' HB2' HG13 ' A' ' 16' ' ' ILE . 2.9 tp 69.02 14.6 8.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.95 0.5 . . . . 0.0 112.157 168.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.37 115.72 3.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.023 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -52.35 -51.13 60.52 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.48 0.487 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -111.87 139.1 47.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.716 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -137.01 105.69 5.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -97.83 142.14 29.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.324 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -70.3 -29.63 66.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.51 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.38 -8.25 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.608 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -143.54 76.96 15.64 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.493 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 60.5 Cg_endo -73.42 128.97 13.28 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.522 2.148 . . . . 0.0 112.858 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 25.8 Cg_exo -61.88 -23.43 75.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.983 2.456 . . . . 0.0 112.059 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.61 -10.59 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.496 HD22 ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.03 -12.46 50.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.096 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.76 -39.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.165 0.507 . . . . 0.0 109.833 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 9' ' ' SER . 11.9 pt -83.27 8.07 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' HB3' HD22 ' A' ' 29' ' ' ASN . 18.5 t70 -102.42 -37.27 8.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.571 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 49.2 8.98 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.556 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 63.4 t30 -97.44 120.21 61.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.494 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 23.5 Cg_exo -65.1 -5.27 10.6 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.176 2.584 . . . . 0.0 113.099 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -95.91 -44.13 7.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 0.0 111.443 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -102.5 149.66 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.499 -172.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 129' ' ' HIS . 46.7 p90 -145.54 165.58 28.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.285 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 128' ' ' VAL . 57.7 t90 -105.62 144.14 32.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.002 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 164.12 30.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -116.82 160.21 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -87.07 26.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.139 0.495 . . . . 0.0 111.229 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.99 29.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.162 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.467 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 64.4 mtt -91.81 95.28 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.711 0.291 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 83.1 m-85 -107.04 129.86 23.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.397 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.891 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 3.2 Cg_exo -81.45 164.01 77.29 Favored 'Cis proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.599 -1.417 . . . . 0.0 111.695 -2.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.4 pt20 -127.42 138.85 53.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.152 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.09 144.98 48.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.979 0.418 . . . . 0.0 110.789 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -145.09 144.93 31.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.19 172.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HB ' ' CG1' ' A' ' 16' ' ' ILE . 72.5 mt -109.22 114.97 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.834 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -92.35 107.44 18.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.7 m -86.93 116.49 25.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.603 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 95.4 m-85 -77.91 -25.65 48.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 65.24 11.22 7.06 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.087 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HG3' HG13 ' A' ' 57' ' ' VAL . 52.6 pttt -156.28 163.85 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.42 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -89.35 109.07 20.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 137' ' ' VAL . 24.3 m -123.31 156.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 112.043 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 7.6 ttp85 -107.98 111.8 24.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.713 175.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 80.7 mt -92.78 133.04 35.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.37 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.7 -1.59 8.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.977 0.418 . . . . 0.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -166.44 137.91 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 89' ' ' ILE . 96.9 mt -119.96 125.94 49.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.55 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 90.4 t -101.54 111.87 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 105' ' ' ILE . 17.9 mm -106.72 104.02 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.092 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -103.99 102.35 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 128' ' ' VAL . 12.6 p -151.29 -179.87 7.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -174.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.861 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 19.7 m-85 -121.01 142.59 49.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.356 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 65.0 -96.78 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.754 0.659 . . . . 0.0 111.91 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.848 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.4 t 58.2 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.179 0.592 . . . . 0.0 110.659 -176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.848 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -172.7 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.1 m -105.56 99.79 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.036 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.547 HD11 ' HD2' ' A' ' 116' ' ' PHE . 28.4 tp -103.67 101.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.492 0.663 . . . . 0.0 110.366 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 117' ' ' ILE . 52.9 tttp -90.64 106.94 18.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.572 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.581 HD12 HG13 ' A' ' 89' ' ' ILE . 36.7 mt -96.18 108.7 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.765 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 23.7 tt0 -111.62 136.63 50.57 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.53 155.48 22.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.229 0.538 . . . . 0.0 111.594 -172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 11.5 t -142.87 132.64 23.98 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 165.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -113.17 12.73 19.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 0.0 110.4 -177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -89.58 -164.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.697 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 2.7 ptmm? -107.15 -6.4 17.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.123 0.487 . . . . 0.0 110.938 178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 25.3 mp0 -97.81 146.29 31.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.62 32.65 0.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.645 2.23 . . . . 0.0 112.165 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.73 166.9 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.823 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.1 t70 63.17 105.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.053 0.845 . . . . 0.0 110.84 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.765 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 98.1 m-85 -126.31 156.46 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 112.328 -169.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -115.54 136.37 53.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.929 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -75.08 116.68 16.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.952 0.406 . . . . 0.0 110.491 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -90.93 -78.6 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.352 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.581 HG13 HD12 ' A' ' 74' ' ' ILE . 7.0 pt -141.24 109.96 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 111.368 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.24 105.34 17.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -112.88 144.66 42.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.98 0.419 . . . . 0.0 111.29 -170.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.2 p-10 -98.95 149.02 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.799 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 69' ' ' VAL . 82.8 mt -121.77 173.48 7.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.371 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.62 146.95 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -62.84 105.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -91.28 119.33 31.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.09 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -103.79 118.0 35.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.073 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.24 38.97 91.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.595 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.69 132.82 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.703 0.287 . . . . 0.0 111.236 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.861 ' HG ' ' HE1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -97.64 97.22 8.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -106.38 136.06 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.132 0.491 . . . . 0.0 111.091 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.566 ' N ' HD22 ' A' ' 102' ' ' ASN . 0.7 OUTLIER -97.03 115.61 27.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.04 175.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.07 130.02 37.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -107.76 99.78 9.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.195 -175.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 64' ' ' ILE . 3.1 mp -99.17 119.56 47.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.432 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.49 97.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.729 0.776 . . . . 0.0 109.634 173.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.9 112.33 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.471 -173.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 52.6 m-70 -102.23 112.08 24.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 157.69 30.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.875 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 p -104.38 136.68 43.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.93 161.52 41.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.048 0.452 . . . . 0.0 111.526 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 p -122.09 -33.93 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.492 174.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 88.7 m-85 -125.29 126.62 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.549 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 30.4 mt -114.79 121.25 42.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.598 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 17.5 ttp180 -106.38 100.54 10.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.12 0.486 . . . . 0.0 110.004 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.547 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.7 m-85 -82.61 116.34 21.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.904 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CZ ' ' A' ' 115' ' ' ARG . 55.6 mt -114.4 107.32 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.8 mt -88.29 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.891 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -62.52 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.019 -173.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 69.2 m -155.6 165.89 35.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.848 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -132.07 168.89 17.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.89 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -70.2 -8.65 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.469 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -135.48 -172.18 3.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -95.83 -6.4 39.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.473 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.43 133.74 48.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.407 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -136.13 118.35 15.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 67' ' ' TYR . 15.0 m -142.08 122.69 14.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 39' ' ' TRP . 8.2 p -100.53 130.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 6.5 t60 -79.54 -59.19 2.85 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 m -160.27 159.61 31.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.952 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -128.0 170.95 16.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.671 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.8 m -149.72 128.8 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -106.05 107.67 18.78 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.41 123.7 40.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.253 0.549 . . . . 0.0 110.672 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 175.44 -144.41 7.21 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -137.97 154.83 49.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 0.0 111.32 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.511 ' HA ' HG12 ' A' ' 57' ' ' VAL . 59.4 t -83.43 112.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.942 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.68 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.036 0.445 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.575 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.607 ' HE ' ' HG2' ' A' ' 60' ' ' GLU . 31.5 ptt-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.44 0.638 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -130.04 93.55 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.056 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 6.5 tt -134.52 128.05 50.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -63.48 106.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.514 0.673 . . . . 0.0 110.268 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.719 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 25.9 mt -84.88 -2.44 57.81 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.379 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.03 -14.37 25.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 0.0 111.376 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 65.5 mt -64.08 131.43 47.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.177 0.513 . . . . 0.0 112.095 -176.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 31' ' ' ILE . 18.6 p -64.81 -20.05 66.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.438 170.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 m -72.5 -23.61 61.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 50.1 mm-40 -95.35 9.74 38.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.26 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.79 9.73 59.54 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.647 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . 19.2 m -86.44 149.5 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.382 0.591 . . . . 0.0 110.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -132.99 151.04 52.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.32 110.72 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.847 0.832 . . . . 0.0 111.192 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.653 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.2 tt -113.02 154.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.417 -175.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER 74.5 20.22 2.53 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.901 0.48 . . . . 0.0 112.149 171.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.74 117.71 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.274 -0.266 . . . . 0.0 110.938 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -65.03 -61.23 2.28 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -103.94 102.42 12.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.033 0.444 . . . . 0.0 110.987 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -91.58 119.95 31.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 11.3 t70 -96.77 147.38 23.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.72 -20.51 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.063 0.459 . . . . 0.0 111.454 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -89.97 -30.14 18.0 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 97.6 m-70 -129.5 81.69 69.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.989 170.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 29.1 Cg_endo -62.48 155.24 59.2 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.066 2.511 . . . . 0.0 113.168 -173.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' O ' HG22 ' A' ' 30' ' ' ILE . 35.6 Cg_exo -58.33 -20.99 50.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.018 2.479 . . . . 0.0 112.233 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.47 -14.9 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.19 -12.5 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.464 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.3 tt -78.26 -27.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.551 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 9' ' ' SER . 4.9 pt -94.09 13.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 122.006 0.908 . . . . 0.0 109.596 174.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' CG ' HD22 ' A' ' 34' ' ' ASN . 21.6 t70 -109.6 -64.91 1.2 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.647 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.16 21.64 77.72 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 114.277 171.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.484 HD22 ' CG ' ' A' ' 32' ' ' ASP . 43.7 m-80 -84.85 147.56 48.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 117.733 0.767 . . . . 0.0 110.189 176.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.77 16.19 0.28 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.321 2.68 . . . . 0.0 114.135 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -96.9 -41.07 8.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 t -151.52 141.0 21.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 42.2 p90 -145.84 170.0 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.059 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -87.54 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.029 0.442 . . . . 0.0 110.997 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -122.59 139.67 53.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 43' ' ' GLY . 7.3 m -76.55 139.28 40.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.115 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -77.76 -9.8 59.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 111.626 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 41' ' ' THR . . . 115.16 -3.24 22.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.405 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -78.84 97.57 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.082 0.468 . . . . 0.0 110.728 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.06 147.93 36.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.587 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.81 155.53 97.67 Favored 'Cis proline' 0 C--O 1.235 0.371 0 C-N-CA 122.995 -1.669 . . . . 0.0 112.09 -1.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 19.9 pt20 -106.97 144.06 34.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.138 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 115' ' ' ARG . 10.2 pt-20 -143.9 131.11 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.268 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 116' ' ' PHE . 37.7 p90 -145.17 143.65 30.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.653 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.6 mt -109.84 112.45 40.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.802 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.65 112.97 27.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.74 131.33 44.37 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.078 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.61 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 99.6 m-85 -72.42 -24.28 61.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.021 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 67.82 15.78 9.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.361 0.601 . . . . 0.0 110.275 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 18.8 pttm -162.57 155.86 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.599 -176.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -82.72 105.8 14.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 137' ' ' VAL . 33.8 m -119.12 169.35 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.048 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.2 ttt180 -129.09 117.02 20.15 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.735 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.0 mt -90.02 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.506 -175.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' HE ' ' A' ' 2' ' ' ARG . 14.5 tp10 -115.76 -26.89 7.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.332 0.587 . . . . 0.0 110.261 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -165.8 139.1 4.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.742 -174.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.2 mp -110.19 140.14 44.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.713 0.292 . . . . 0.0 110.419 177.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.93 95.48 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.5 mm -100.81 111.19 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.794 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -117.44 107.95 14.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.138 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.1 m -147.81 167.31 25.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.99 143.05 45.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.807 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 74.4 m-85 70.65 2.64 4.2 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 170.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.4 125.94 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.792 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.761 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 34.2 tt0 -111.39 -76.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.0 m -85.2 101.36 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.165 0.507 . . . . 0.0 110.344 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.738 HD11 ' HD1' ' A' ' 116' ' ' PHE . 17.8 tp -112.33 110.13 20.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.39 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 40.6 tttp -97.31 108.36 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.104 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.09 106.78 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.051 0.453 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 28.3 tt0 -95.89 135.7 37.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.156 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 10.4 ttmt -111.51 135.74 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.011 0.434 . . . . 0.0 112.019 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 51.0 m -136.88 127.57 27.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.191 170.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.34 16.45 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.386 0.612 . . . . 0.0 110.519 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -86.09 157.2 20.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.95 -4.2 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.373 0.606 . . . . 0.0 109.854 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 83' ' ' VAL . 31.4 mt-10 -117.44 154.56 50.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.485 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -75.07 43.05 0.92 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.758 2.306 . . . . 0.0 112.657 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 81' ' ' GLU . 30.9 m -129.02 169.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.24 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 63.45 106.76 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.061 0.851 . . . . 0.0 111.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 55.8 m-85 -115.8 127.32 54.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -127.67 128.62 45.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.35 110.07 5.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.59 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 14.5 t90 -84.43 -67.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.333 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.2 mt -134.84 143.1 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -139.02 115.24 10.34 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -120.58 161.57 21.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.518 . . . . 0.0 112.056 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.761 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 3.7 p30 -133.02 133.6 43.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.472 171.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.94 166.06 11.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.43 154.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.646 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -58.22 113.94 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 17.4 p -129.1 114.57 16.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.804 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -100.95 113.45 26.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.725 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 -18.52 34.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.8 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.47 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 77.4 mt-30 -92.47 112.12 23.95 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.47 101.85 4.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -88.36 89.45 7.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.52 109.08 3.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.91 104.21 16.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.723 0.773 . . . . 0.0 110.069 -171.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.1 pt-20 -90.06 102.55 15.26 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.299 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 38.8 mm -79.71 98.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.374 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 m -75.05 90.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.785 0.802 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.183 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.735 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.2 p80 -103.6 111.05 23.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.411 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.43 34.13 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.531 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -108.8 131.66 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.669 0.235 . . . . 0.0 110.379 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -157.15 154.19 28.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.702 0.287 . . . . 0.0 110.712 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 p -115.39 -34.98 4.76 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.223 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.705 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 39.1 m-85 -122.32 131.3 53.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.94 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 76' ' ' LYS . 69.1 mt -127.43 126.3 42.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.543 0.211 . . . . 0.0 110.442 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 50' ' ' ILE . 4.6 ttm-85 -106.3 110.65 22.95 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.738 ' HD1' HD11 ' A' ' 72' ' ' LEU . 67.9 m-85 -85.1 109.95 18.62 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.656 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 36.0 mt -106.03 102.43 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.965 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.495 ' HB ' ' CG ' ' A' ' 47' ' ' GLN . 52.1 mt -88.76 99.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.1 -46.71 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.984 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -127.09 127.35 44.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.746 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.36 159.83 30.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 66.8 m-85 -70.88 -30.37 66.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.534 . . . . 0.0 110.483 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.87 -172.27 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.516 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.7 m-70 -101.18 -4.58 26.96 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -122.91 122.31 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.816 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.7 137.89 41.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.928 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.419 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . 18.7 m -127.92 111.81 14.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -94.82 109.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.249 0.547 . . . . 0.0 110.073 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -73.05 -54.19 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -164.34 125.96 2.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.945 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.31 118.27 54.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.963 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 44.4 m -121.31 145.25 48.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.51 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -110.67 120.23 41.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.11 143.21 26.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.257 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 149.08 -154.46 25.81 Favored Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -143.28 163.68 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 117.206 0.503 . . . . 0.0 111.311 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 57' ' ' VAL . 31.5 t -89.38 114.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.072 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.81 -44.7 98.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.13 179.121 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 68.17 61.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.663 0.602 . . . . 0.0 111.769 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 9.6 tt -95.39 133.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.27 91.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.084 0.468 . . . . 0.0 110.702 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD22 HG11 ' A' ' 57' ' ' VAL . 20.5 mt -82.91 8.1 13.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.072 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.755 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 24.7 p -94.24 -30.96 14.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.631 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.14 139.32 58.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -166.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -62.35 -21.66 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.278 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -70.7 -20.1 62.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.17 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -92.18 2.11 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.05 13.72 61.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.954 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.7 p -72.31 162.23 29.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.907 0.384 . . . . 0.0 110.324 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.558 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 10.1 tp10 -142.91 140.62 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.157 178.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.84 102.07 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.008 0.908 . . . . 0.0 109.935 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.567 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.3 tt -105.08 131.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.288 -176.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 6.3 tt 71.0 118.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.68 0.613 . . . . 0.0 111.029 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 48' ' ' GLU . . . -151.57 135.44 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.915 176.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -63.36 -28.95 70.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.542 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -120.99 139.61 53.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.817 0.341 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -156.83 151.48 25.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -145.44 157.22 44.05 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -86.81 -24.96 24.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.997 0.427 . . . . 0.0 111.104 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -92.5 -30.54 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.87 85.32 60.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.243 174.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.96 149.55 22.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.127 2.551 . . . . 0.0 112.991 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.696 ' HB3' ' CD1' ' A' ' 39' ' ' TRP . 56.9 Cg_endo -74.36 -5.49 17.0 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.88 2.387 . . . . 0.0 112.798 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.23 -12.75 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.227 0.537 . . . . 0.0 111.224 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.05 -3.22 51.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.316 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.4 tt -66.15 -35.35 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 111.309 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 10.7 pt -80.69 -26.91 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.644 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.9 -18.05 41.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.34 53.34 5.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.163 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.86 130.72 54.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.58 -42.52 4.92 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.709 2.273 . . . . 0.0 112.422 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.3 -60.55 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m -94.95 115.37 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.109 0.48 . . . . 0.0 110.877 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -133.86 174.74 10.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.241 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.696 ' CD1' ' HB3' ' A' ' 27' ' ' PRO . 33.9 t90 -93.28 121.76 34.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 110.862 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -124.0 170.33 10.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.04 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.806 ' HB ' ' HB2' ' A' ' 125' ' ' PHE . 3.3 m -104.87 147.44 27.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.837 0.351 . . . . 0.0 111.381 -173.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -83.83 -21.62 32.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.597 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.753 ' H ' HG22 ' A' ' 41' ' ' THR . . . 114.09 47.17 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.727 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.32 116.2 13.17 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.65 145.67 31.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -80.81 146.9 73.2 Favored 'Cis proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.298 -0.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 16.7 pt20 -107.09 114.06 27.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.259 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 9.4 pt-20 -124.38 158.78 31.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.004 -177.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 45.8 p90 -155.09 144.77 21.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.577 173.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.806 HG12 ' HG3' ' A' ' 115' ' ' ARG . 57.0 mt -108.9 124.33 65.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.884 0.373 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.02 120.32 54.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 14' ' ' GLU . 16.1 p -110.46 132.91 53.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.927 0.394 . . . . 0.0 110.72 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 55' ' ' LYS . 74.3 m-85 -82.02 -23.63 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.712 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 70.2 m-70 71.0 -17.73 0.29 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.586 0.754 . . . . 0.0 111.467 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 53' ' ' PHE . 42.7 pttt -125.95 161.31 27.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.33 107.77 16.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 6' ' ' LEU . 16.3 m -121.49 160.92 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.981 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 110' ' ' SER . 57.4 ttp85 -125.52 122.14 35.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -89.64 141.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 108' ' ' HIS . 1.5 tp10 -93.78 -50.28 5.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.563 HH11 ' HG3' ' A' ' 61' ' ' ARG . 26.4 ptt85 -161.09 154.4 21.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.913 173.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.7 134.93 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.509 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.545 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 85.6 t -96.06 112.73 28.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.73 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HB2' ' H ' ' A' ' 130' ' ' SER . 77.8 mt-30 -101.64 102.17 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -152.92 147.03 25.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.4 t80 -128.89 159.32 36.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 73.9 m-85 72.92 -10.79 0.94 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.56 0.744 . . . . 0.0 111.714 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 45.8 t -70.81 137.54 23.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 24.6 tt0 -113.25 -74.02 0.64 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -95.87 103.64 15.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.756 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' A' ' 116' ' ' PHE . 22.3 tp -111.76 114.49 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.269 0.557 . . . . 0.0 110.905 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 20.7 ttmm -103.63 120.45 40.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 89' ' ' ILE . 62.5 mt -99.55 107.65 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -99.66 129.11 45.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.82 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 28.7 ttpp -107.58 139.58 41.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.965 0.412 . . . . 0.0 111.268 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 34.4 t -139.18 140.73 37.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.766 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 p -112.54 17.47 19.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.235 0.541 . . . . 0.0 110.235 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -85.31 156.64 20.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.558 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -82.27 -19.57 39.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.82 0.819 . . . . 0.0 108.87 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' A' ' 83' ' ' VAL . 5.7 mm-40 -105.92 157.27 35.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.971 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.59 51.21 1.46 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.967 2.445 . . . . 0.0 112.685 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 81' ' ' GLU . 29.4 m -138.36 173.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.773 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.4 t70 58.0 88.79 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 0.0 110.925 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.63 144.95 41.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.283 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.0 128.63 32.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.645 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -71.79 106.77 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.344 0.593 . . . . 0.0 110.485 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -92.26 -52.32 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.717 -174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 74' ' ' ILE . 61.9 mt -135.57 146.41 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -138.96 121.45 16.15 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -136.07 135.42 39.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.739 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.556 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.6 p-10 -104.54 129.67 52.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.68 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 20.2 tp -73.93 142.14 45.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.643 ' HB ' HE22 ' A' ' 101' ' ' GLN . 60.2 t -96.53 124.45 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -74.91 91.67 2.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.104 0.478 . . . . 0.0 110.786 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.9 p -81.31 114.58 20.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 168.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.26 121.51 20.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.335 -172.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.22 -0.29 87.24 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.441 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -129.2 129.41 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.16 116.62 20.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 171.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.643 HE22 ' HB ' ' A' ' 94' ' ' VAL . 34.8 tt0 -83.14 97.11 8.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.287 0.565 . . . . 0.0 111.221 -175.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.98 115.93 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.991 172.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.17 121.52 43.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.762 0.315 . . . . 0.0 111.018 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 7.4 pt-20 -96.62 103.6 15.52 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.882 0.849 . . . . 0.0 109.332 171.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.37 100.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.131 -176.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -75.7 106.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.596 0.713 . . . . 0.0 109.945 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.485 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -147.62 117.93 7.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.467 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.474 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 70.2 m80 -99.29 107.39 19.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.95 164.11 37.6 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.987 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 20.2 m -108.14 143.62 36.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.478 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.71 160.17 36.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.9 p -119.57 -34.68 3.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.678 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 42.2 m-85 -124.6 127.59 47.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.031 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 76' ' ' LYS . 66.9 mt -121.42 124.5 44.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.806 ' HG3' HG12 ' A' ' 50' ' ' ILE . 3.5 ttm-85 -106.51 119.63 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 71.8 m-85 -94.29 102.01 13.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.745 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.498 HG13 ' HD2' ' A' ' 115' ' ' ARG . 4.4 mp -97.38 103.39 14.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.844 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.767 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 50.1 mt -85.84 96.13 4.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.8 -40.72 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.896 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 t -146.74 157.58 43.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 -177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.91 171.66 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -80.9 -16.34 53.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -134.92 -172.09 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.788 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.412 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 86.1 m-70 -74.39 -14.83 60.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.806 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 49.4 p90 -150.6 158.84 44.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.85 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' A' ' 69' ' ' VAL . . . -114.5 157.96 22.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -135.06 120.06 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.045 0.45 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 30' ' ' ILE . 8.1 p -104.34 136.62 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.74 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -98.27 -60.35 1.57 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 65' ' ' GLN . 15.0 m -148.73 133.63 18.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.278 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.73 142.75 41.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.755 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 26.6 p -143.44 136.4 27.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 110.884 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.63 102.71 12.15 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -98.03 104.02 16.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.479 0.657 . . . . 0.0 110.635 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -130.63 1.6 Allowed Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.326 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 p -144.55 154.98 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 132.04 39.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.961 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.24 -57.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.14 177.218 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 136' ' ' THR . 12.1 ptm180 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.106 0.479 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -129.07 91.93 3.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.198 0.523 . . . . 0.0 109.863 171.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 10.5 tt -120.25 121.09 64.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 168.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.44 94.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.138 0.97 . . . . 0.0 110.504 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 14.6 mt -79.12 11.22 2.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.831 -168.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.695 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 39.7 t -94.58 -12.11 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.185 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 61.1 mt -74.07 140.48 45.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 0.0 111.66 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.587 ' HB2' HG13 ' A' ' 31' ' ' ILE . 18.8 t -68.42 -19.42 64.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.523 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -90.52 -9.23 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.545 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 7.1 tm-20 -89.57 -24.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.187 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.18 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.973 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.0 m -98.68 150.71 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.665 0.269 . . . . 0.0 110.441 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.53 150.48 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.331 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 p -97.46 136.24 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.191 0.52 . . . . 0.0 110.093 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 50' ' ' ILE . 5.3 tt -135.82 134.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.337 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.4 tt 69.45 99.7 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.681 0.613 . . . . 0.0 111.005 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.45 119.16 25.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.3 m -56.96 -56.87 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.046 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -98.03 144.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.527 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -158.12 131.26 7.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.995 0.426 . . . . 0.0 110.791 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.832 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 12.2 t70 -101.58 155.16 18.26 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 172.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -78.78 -23.28 45.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.783 0.325 . . . . 0.0 110.894 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -107.08 -2.4 21.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 0.0 110.078 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.832 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 32.0 m170 -128.0 76.89 77.25 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.033 172.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.526 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 55.5 Cg_endo -88.35 137.58 3.68 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.716 2.278 . . . . 0.0 112.572 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.526 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.08 -17.58 45.74 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 C-N-CA 123.393 2.728 . . . . 0.0 113.711 -172.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -66.15 -14.48 61.91 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.176 -0.328 . . . . 0.0 111.716 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.12 -2.65 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 HG23 ' A' ' 31' ' ' ILE . 8.1 tt -62.49 -35.64 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 111.544 -174.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 25.2 pt -87.93 -18.46 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.298 -172.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -89.77 -15.41 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 0.0 110.545 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 52.86 7.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.144 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -103.33 112.75 65.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.46 -16.84 52.43 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.34 2.693 . . . . 0.0 112.979 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.92 -48.85 80.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.456 . . . . 0.0 110.509 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -116.39 115.48 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.0 142.77 34.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -96.19 113.65 25.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -126.09 138.8 53.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.78 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 43' ' ' GLY . 55.9 m -85.25 132.53 34.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.254 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -77.85 8.67 4.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.275 -175.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 41' ' ' THR . . . 102.3 25.47 7.82 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.258 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.61 101.79 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 83.0 m-85 -106.85 138.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.265 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 84.2 Cg_endo -85.7 163.74 57.59 Favored 'Cis proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.364 -1.515 . . . . 0.0 112.608 0.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG2' HG21 ' A' ' 41' ' ' THR . 27.8 mt-30 -107.12 111.73 24.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.359 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.52 125.35 46.6 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.265 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.616 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 30.4 p90 -139.28 140.17 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.883 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HB ' HG23 ' A' ' 16' ' ' ILE . 69.8 mt -111.52 135.77 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.44 117.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.85 127.65 51.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 96.4 m-85 -81.15 -20.73 40.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.309 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 23.5 m-70 68.68 6.64 5.61 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 139' ' ' SER . 40.1 pttt -154.27 179.7 8.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.14 -171.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 42.6 m-70 -101.49 110.94 23.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -123.8 148.82 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 111.676 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.897 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.407 HD13 HD11 ' A' ' 114' ' ' LEU . 69.5 mt -89.6 123.42 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.12 -14.77 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.16 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -170.08 156.06 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -133.28 136.8 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.665 0.269 . . . . 0.0 110.696 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 46.5 t -103.45 109.0 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.864 175.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 19.3 mm -113.11 103.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -117.32 102.19 9.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 m -140.75 167.24 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -95.3 123.73 38.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.85 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.063 0.852 . . . . 0.0 112.232 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.905 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.9 t 56.33 -160.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.905 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -174.22 -77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -108.35 103.42 12.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.854 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.1 tp -103.41 102.21 12.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.231 0.538 . . . . 0.0 110.246 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.612 ' HZ1' ' HG2' ' A' ' 87' ' ' GLN . 51.9 tttp -96.92 109.9 22.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.669 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -104.65 117.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.925 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -95.56 142.02 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 176.017 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 78.6 tttt -106.71 134.45 49.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.048 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.504 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 31.3 t -142.1 143.34 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.854 0.359 . . . . 0.0 110.191 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m -128.72 23.44 5.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.592 0.711 . . . . 0.0 109.46 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -77.33 178.07 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.885 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -79.65 -31.1 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 109.724 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.657 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 31.3 mt-10 -119.27 168.94 8.94 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.266 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.657 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 56.6 Cg_endo -70.86 46.46 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.003 2.469 . . . . 0.0 112.598 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.74 160.64 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.156 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 61.55 93.1 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.546 0.689 . . . . 0.0 111.126 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 77.5 m-85 -116.35 167.96 10.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.04 139.34 34.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.612 ' HG2' ' HZ1' ' A' ' 73' ' ' LYS . 18.9 mt-30 -63.28 108.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.352 0.407 . . . . 0.0 110.25 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 18.3 t90 -97.11 -65.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.04 -173.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.7 mt -138.11 108.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 52.4 mt-10 -106.66 97.09 6.93 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -103.34 161.29 13.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.614 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.13 114.51 27.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.548 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 82.9 mt -103.43 121.99 43.95 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.27 154.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.211 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.505 ' HB2' ' CB ' ' A' ' 122' ' ' PHE . 13.5 t60 -62.69 102.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.273 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 p -113.2 111.74 22.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.515 0.674 . . . . 0.0 111.158 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -104.41 132.68 50.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.79 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.29 9.94 73.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.175 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -140.14 129.12 23.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 110.405 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.68 116.24 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.04 86.08 7.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.218 0.533 . . . . 0.0 109.743 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 96.44 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.862 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 8.6 tp10 -92.14 120.46 32.75 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.29 99.44 9.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.281 0.562 . . . . 0.0 109.791 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 58.8 mt -86.37 106.75 15.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.795 -176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.17 102.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -144.48 153.05 41.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -115.35 126.02 53.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.151 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.68 131.8 2.46 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.819 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.9 m -90.65 108.44 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.47 52.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 111.713 -173.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.6 p -108.09 -27.69 9.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.557 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.3 m-85 -133.76 128.11 34.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.078 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.407 HD11 HD13 ' A' ' 59' ' ' ILE . 50.3 mt -114.76 129.82 56.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.557 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 64.3 ttt180 -110.85 110.12 20.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.639 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HD2' HD11 ' A' ' 72' ' ' LEU . 45.3 m-85 -96.6 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.319 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 48.4 mt -114.23 102.12 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.803 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.6 mt -81.74 94.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 48.1 t -58.59 -44.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -175.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 t -159.06 179.35 9.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.251 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . . . -142.16 158.09 44.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CB ' ' HB2' ' A' ' 95' ' ' HIS . 63.0 m-85 -74.66 -8.75 57.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.106 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.6 162.84 31.58 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -64.52 -29.14 70.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.702 0.287 . . . . 0.0 111.304 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -112.35 136.84 51.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.218 0.532 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.95 119.39 20.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -120.15 121.46 38.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.67 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 30' ' ' ILE . 3.4 p -84.83 116.62 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 171.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -97.55 -28.05 14.13 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.191 -172.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -169.09 120.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.1 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 16.6 m -128.61 144.06 39.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 33.1 m -150.51 144.1 25.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.574 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.81 123.49 48.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -104.6 147.48 27.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.055 0.455 . . . . 0.0 110.473 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.69 -141.97 9.17 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.625 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -149.79 144.35 25.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.856 0.36 . . . . 0.0 111.88 -178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.43 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.132 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 39.9 t -94.78 -37.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.553 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 14.6 m . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.772 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 60' ' ' GLU . 37.5 ttt180 . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 6.9 pttp -128.28 81.14 2.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.155 0.978 . . . . 0.0 111.031 175.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 135' ' ' GLY . 6.5 tt -95.28 145.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.359 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.37 96.08 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.453 0.644 . . . . 0.0 110.535 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 16.9 mt -84.52 11.07 9.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.174 -173.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 23.6 p -91.83 -10.01 41.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 98.6 mt -68.3 137.23 54.52 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.379 0.609 . . . . 0.0 111.682 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.644 ' HB3' HD12 ' A' ' 31' ' ' ILE . 11.6 p -63.98 -21.95 66.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.403 171.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -74.87 -12.07 60.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.163 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -95.44 1.53 54.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.94 45.24 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.657 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 19.9 m -98.11 117.38 32.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.824 0.345 . . . . 0.0 110.143 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -103.38 144.44 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.787 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 51' ' ' ILE . 14.7 m -89.95 133.27 32.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.814 172.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 17' ' ' LEU . 14.2 tt -131.3 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' N ' HG12 ' A' ' 16' ' ' ILE . 7.0 tp 72.24 -87.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.226 0.61 . . . . 0.0 110.219 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.75 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.819 0.699 . . . . 0.0 111.846 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -57.86 -26.9 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.5 t -151.94 95.38 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 110.31 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.6 t -94.37 109.23 21.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 15.5 t70 -95.99 149.27 21.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.104 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -59.1 -41.12 87.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.663 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -107.68 3.81 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.437 0.637 . . . . 0.0 110.605 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 56.6 m-70 -132.87 72.68 76.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 96.1 Cg_endo -95.38 149.64 1.53 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.99 2.46 . . . . 0.0 113.452 -173.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 5.3 Cg_exo -75.92 1.88 7.68 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.198 2.599 . . . . 0.0 111.986 176.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.62 -37.87 89.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.822 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -80.76 2.0 28.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.801 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 129' ' ' HIS . 68.2 mt -79.62 -27.74 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.876 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 9' ' ' SER . 17.4 pt -108.98 -4.92 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.266 -175.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 34' ' ' ASN . 2.0 p-10 -97.66 -26.15 14.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.504 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.39 15.18 81.34 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.914 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 87.4 m-20 -95.12 140.87 22.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.619 0.21 . . . . 0.0 110.756 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 9.1 Cg_exo -72.91 19.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.458 2.772 . . . . 0.0 112.808 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ASN . 8.2 tp10 -61.75 -68.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 110.812 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 38' ' ' PHE . 5.1 m -138.8 176.85 8.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.437 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.637 ' H ' HG22 ' A' ' 37' ' ' THR . 43.3 p90 -141.37 155.43 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.704 0.288 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.521 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.9 t90 -90.8 109.88 21.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 11.4 t -109.24 144.46 37.33 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 8.8 p -76.36 146.24 38.91 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.024 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -8.79 57.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.551 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.39 15.88 28.74 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.117 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.2 ttt -105.72 74.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.99 144.39 92.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.02 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.647 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 87.9 Cg_endo -88.47 152.19 33.62 Favored 'Cis proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.79 -0.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 53.0 mt-30 -128.5 131.33 48.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.33 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.5 166.47 17.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.55 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.49 150.8 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.651 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.5 mt -118.19 137.67 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 -176.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 HG12 ' A' ' 15' ' ' VAL . 64.6 mt -121.13 130.89 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 13' ' ' SER . 17.0 p -108.55 124.02 49.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.56 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 96.3 m-85 -75.04 -16.6 60.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 72.73 2.03 4.21 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.101 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -159.7 168.84 25.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.917 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -84.86 108.14 17.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 110.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 m -114.59 151.0 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.737 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.524 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 30.0 ttm180 -99.23 114.88 27.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.0 mt -89.59 125.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.153 0.502 . . . . 0.0 110.043 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CD ' HH21 ' A' ' 2' ' ' ARG . 3.4 tp10 -102.15 -36.03 8.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.887 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.748 ' HD2' ' HB3' ' A' ' 104' ' ' GLU . 45.7 ttp180 -163.39 149.57 11.87 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.331 -176.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.37 121.53 41.35 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.85 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 87.3 t -91.36 100.33 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.582 HG23 HG12 ' A' ' 131' ' ' VAL . 31.0 mm -94.27 109.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.619 ' HG2' ' HB3' ' A' ' 102' ' ' ASN . 44.8 mt-30 -95.79 102.16 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.852 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 m -144.4 166.33 25.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.072 0.463 . . . . 0.0 111.002 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -135.32 117.2 15.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HD1' ' HB2' ' A' ' 122' ' ' PHE . 30.3 m-85 57.45 87.16 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.89 0.744 . . . . 0.0 112.793 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 70' ' ' GLN . 1.4 t -118.67 -165.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.611 ' H ' HG12 ' A' ' 69' ' ' VAL . 43.1 tt0 -163.37 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 16.6 m -85.25 94.26 8.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.427 0.632 . . . . 0.0 109.988 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD11 ' HD2' ' A' ' 116' ' ' PHE . 15.7 tp -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.751 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 90' ' ' GLU . 62.1 tttm -99.45 109.47 22.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.75 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.6 mt -97.6 113.62 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.95 0.405 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.563 ' CB ' ' HB3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -95.77 142.44 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.864 177.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 34.4 ttpt -125.83 139.82 53.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.508 -177.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 22.8 t -141.42 143.85 34.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.862 0.363 . . . . 0.0 110.358 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -110.68 14.44 22.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.563 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 t -84.6 167.84 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.472 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 8.2 mtpm? -87.09 -14.47 41.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 109.943 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.17 150.18 36.48 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.995 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.08 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.586 2.191 . . . . 0.0 112.431 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.98 160.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.8 t70 64.43 101.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.135 0.897 . . . . 0.0 111.282 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 94.4 m-85 -127.24 144.43 51.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.369 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -78.48 119.46 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.201 0.524 . . . . 0.0 109.653 177.015 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -97.55 -69.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.643 HG22 ' HD3' ' A' ' 91' ' ' LYS . 4.6 mt -137.63 97.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.977 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.747 ' HB3' ' HG3' ' A' ' 73' ' ' LYS . 9.0 pt-20 -104.9 108.39 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 174.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.643 ' HD3' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -155.44 160.56 40.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.719 -173.327 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.579 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 6.2 p-10 -118.24 95.99 5.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.654 0.74 . . . . 0.0 110.926 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.407 ' HG ' ' CG ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -126.15 94.08 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.884 178.418 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.539 HG21 ' C ' ' A' ' 69' ' ' VAL . 59.5 t -136.72 98.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.139 0.495 . . . . 0.0 111.235 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -111.87 90.78 3.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.135 171.218 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 101' ' ' GLN . 50.8 p -131.87 109.23 9.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.15 100.47 10.06 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.732 168.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.11 36.83 62.13 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.519 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -140.14 136.41 33.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.998 0.399 . . . . 0.0 111.658 -169.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.94 101.84 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.472 ' HB2' HG22 ' A' ' 96' ' ' THR . 26.1 tp60 -95.48 110.24 22.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 111.173 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -94.93 99.7 11.69 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 166.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.1 135.12 34.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.593 -169.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 43.5 mt-10 -94.62 99.61 11.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.72 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.57 103.83 13.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.884 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.16 96.49 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.043 0.449 . . . . 0.0 110.13 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.41 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -98.93 125.86 44.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.387 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 136.47 4.15 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.924 176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 p -92.65 132.86 36.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -154.42 158.64 40.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.191 0.519 . . . . 0.0 112.098 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.2 p -117.78 -34.25 4.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.515 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -126.03 128.27 47.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.164 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 28.2 mt -114.82 130.96 56.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 173.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 63.3 ttt180 -113.49 104.72 12.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' HD2' HD11 ' A' ' 72' ' ' LEU . 56.8 m-85 -90.62 103.88 16.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.781 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.4 mt -99.81 106.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.291 178.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.49 101.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.647 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 47.4 t -73.14 -57.26 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.589 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -138.16 167.23 22.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.05 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.84 160.23 40.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' A' ' 68' ' ' PHE . 3.6 m-30 -60.38 -30.04 69.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.992 0.425 . . . . 0.0 110.796 177.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -122.65 -175.7 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.828 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -80.55 -22.32 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.849 0.356 . . . . 0.0 110.451 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.27 122.33 44.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.981 0.42 . . . . 0.0 110.839 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.06 116.79 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 14.9 m -112.12 137.08 50.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.894 -175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.7 p -126.91 139.75 50.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 0.0 110.117 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 16.6 t-80 -97.84 -56.62 2.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 47.5 t -164.55 127.89 2.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.716 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.582 HG12 HG23 ' A' ' 64' ' ' ILE . 7.0 m -98.28 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.332 0.587 . . . . 0.0 109.441 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.9 m -90.64 132.35 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.589 -172.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.53 114.39 28.53 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 46.6 mt-10 -93.98 130.76 39.97 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.59 -162.16 35.95 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.18 148.74 48.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 117.17 0.485 . . . . 0.0 109.969 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.51 134.99 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.34 -51.17 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.496 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 179.272 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.545 ' HA ' ' CG2' ' A' ' 136' ' ' THR . 7.8 ptm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 111.616 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 27.5 mtpp -125.28 105.61 9.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.07 0.462 . . . . 0.0 110.375 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 10.4 tt -155.45 131.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.404 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 132' ' ' SER . 19.7 m-20 -74.62 98.04 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.402 0.62 . . . . 0.0 109.992 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 50.0 mt -79.84 -1.31 38.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.886 -171.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 99.3 m -91.8 -3.48 56.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.669 0.271 . . . . 0.0 111.276 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.655 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 63.1 mt -68.64 148.03 51.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 111.886 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -62.51 -25.15 67.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.667 172.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -69.85 -20.41 63.42 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.423 0.63 . . . . 0.0 110.025 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 29.3 mm-40 -90.41 -3.89 57.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.936 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.62 4.9 82.47 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 m -83.61 119.6 24.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' A' ' 31' ' ' ILE . 45.5 mt-10 -110.13 155.2 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -93.79 137.31 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.868 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.556 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.1 tt -141.56 131.16 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.542 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 69.78 100.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.604 175.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.81 131.43 46.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.245 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.646 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 18.5 m -72.09 -34.62 68.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 0.0 111.043 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -113.76 131.19 56.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 m -145.02 136.92 25.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.68 148.45 49.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.122 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.81 -25.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 111.177 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -94.52 -23.18 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.417 0.627 . . . . 0.0 109.683 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.15 78.06 59.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.195 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 5.9 Cg_exo -77.73 129.35 9.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.985 2.457 . . . . 0.0 112.705 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 11.1 Cg_exo -70.88 -5.8 17.71 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.185 2.59 . . . . 0.0 111.844 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.04 -29.71 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.649 ' HB2' HG21 ' A' ' 37' ' ' THR . 47.7 m-80 -95.7 1.78 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.899 -174.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 tt -63.7 -28.59 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 110.695 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 20.3 pt -86.6 -16.75 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.88 -20.08 39.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.724 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.1 47.04 86.07 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.237 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.36 117.32 67.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.22 . . . . 0.0 110.476 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.13 -16.56 55.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.872 2.381 . . . . 0.0 112.752 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -88.12 -2.44 58.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 29' ' ' ASN . 38.5 m -117.95 115.67 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -120.45 126.83 51.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.713 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.565 ' HE3' HG12 ' A' ' 128' ' ' VAL . 72.3 t90 -97.02 132.35 42.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.162 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 t -127.13 156.04 42.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.621 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.563 HG22 HE21 ' A' ' 47' ' ' GLN . 62.3 p -84.29 149.46 26.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 p -91.4 16.63 9.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.045 0.45 . . . . 0.0 111.023 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.12 -1.76 88.43 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.261 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.1 ttt -92.33 95.7 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 97.3 m-85 -106.82 154.79 39.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.666 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 43.5 Cg_endo -68.07 154.64 88.13 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.814 -1.328 . . . . 0.0 112.897 1.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.646 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 6.8 tp-100 -110.44 111.98 23.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.304 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.5 pt-20 -118.19 140.04 50.39 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.965 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 41.5 p90 -150.09 139.62 21.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.562 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' HG23 ' A' ' 16' ' ' ILE . 53.5 mt -109.56 134.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 111.048 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.6 mt -113.77 121.66 66.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.77 118.78 37.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 111.465 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -72.13 -27.39 62.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.532 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 68.56 6.44 5.44 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.442 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' HG3' HG13 ' A' ' 57' ' ' VAL . 58.8 pttt -150.1 173.72 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.864 0.364 . . . . 0.0 111.251 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -90.03 105.62 17.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.701 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.58 ' HB ' HD13 ' A' ' 6' ' ' LEU . 26.7 m -124.66 142.57 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.632 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -102.95 115.73 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 93.3 mt -89.73 136.79 22.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.034 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HG2' ' CE1' ' A' ' 108' ' ' HIS . 5.8 tm-20 -113.73 -30.9 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD3' ' CD ' ' A' ' 104' ' ' GLU . 5.1 ttm180 -154.7 146.78 23.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.929 -172.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 79.1 mt -113.37 126.51 55.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.8 t -104.8 98.55 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.695 HG23 HG22 ' A' ' 131' ' ' VAL . 14.4 mt -116.63 121.74 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 0.0 111.52 -174.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' OE1' HD11 ' A' ' 100' ' ' LEU . 8.8 tt0 -111.68 102.36 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.951 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.889 ' HB3' HG23 ' A' ' 128' ' ' VAL . 29.9 p -160.27 147.51 16.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.394 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.653 ' HE2' HD22 ' A' ' 100' ' ' LEU . 2.1 m-85 -125.78 158.95 33.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.664 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.616 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 66.5 m-85 72.37 -2.68 2.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.202 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.44 127.43 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 58.3 tt0 -104.09 -72.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.785 0.326 . . . . 0.0 111.046 -176.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 103.1 12.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 111.045 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 116' ' ' PHE . 36.3 tp -117.37 102.12 8.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.737 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.65 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -89.95 120.54 31.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 109.741 179.006 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 HG13 ' A' ' 89' ' ' ILE . 26.5 mt -93.26 117.34 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.912 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 29.5 tt0 -111.6 135.97 51.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.105 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.1 ptpp? -106.76 153.77 21.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.408 . . . . 0.0 111.503 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.774 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.3 t -143.16 142.15 31.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 169.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 21.34 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.393 0.616 . . . . 0.0 110.165 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.3 t -92.28 179.98 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.8 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 11.8 ptmm? -95.01 -14.6 24.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 0.0 110.224 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 10.2 mp0 -102.71 156.0 35.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.582 173.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.28 46.24 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.72 2.28 . . . . 0.0 112.192 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.73 -177.99 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.39 77.14 0.23 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.485 0.659 . . . . 0.0 110.311 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.479 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 25.3 m-85 -106.51 131.54 53.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.362 -176.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 33.7 tt0 -119.46 119.33 33.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.128 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -57.16 132.17 52.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.413 . . . . 0.0 110.426 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -102.4 -71.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.75 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -144.47 125.05 8.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.707 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 42.9 tt0 -94.88 109.11 21.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 105' ' ' ILE . 19.5 mmmt -100.57 119.22 38.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.319 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 9.1 p-10 -95.61 112.49 24.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.883 172.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.83 144.26 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -91.81 148.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.33 134.55 34.81 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.936 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.83 123.05 39.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.512 168.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.82 121.18 41.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.913 -171.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.25 -27.58 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.121 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -100.38 135.54 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.653 HD22 ' HE2' ' A' ' 67' ' ' TYR . 2.4 tm? -100.99 112.8 25.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.83 0.347 . . . . 0.0 110.099 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -129.21 145.33 51.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -99.71 142.01 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -92.3 110.56 21.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.191 0.519 . . . . 0.0 109.776 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' CD ' ' HD3' ' A' ' 61' ' ' ARG . 34.9 tt0 -88.24 108.56 19.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.624 176.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' HG3' ' A' ' 91' ' ' LYS . 61.9 mt -102.51 109.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.886 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.24 106.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.456 0.646 . . . . 0.0 110.077 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.22 109.54 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.461 -171.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 15.6 m-70 -103.28 110.21 22.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.22 157.69 30.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.741 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.9 m -104.56 123.39 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.95 149.0 32.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.5 p -106.13 -30.25 9.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.889 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 48.3 m-85 -127.38 129.39 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.65 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.3 mt -122.03 120.01 33.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.575 0.226 . . . . 0.0 110.567 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -106.76 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.935 0.398 . . . . 0.0 110.451 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 72' ' ' LEU . 86.8 m-85 -89.79 117.05 28.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.653 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.65 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 55.9 mt -113.78 102.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.892 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 58.8 mt -86.08 111.58 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -77.54 -54.66 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.441 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -139.02 163.96 31.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -129.89 170.73 13.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.203 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 70.4 m-85 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.191 0.519 . . . . 0.0 109.631 176.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -120.54 -172.37 2.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -93.4 -7.14 45.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 110.294 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.65 122.18 34.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.491 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.48 155.76 34.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.952 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 m -142.85 141.15 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.889 HG23 ' HB3' ' A' ' 66' ' ' SER . 7.7 p -116.97 141.74 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -106.53 -32.69 7.96 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.877 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -168.19 136.5 2.29 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.778 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.695 HG22 HG23 ' A' ' 64' ' ' ILE . 82.4 t -134.81 113.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 48.8 p -130.54 151.33 51.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.893 0.377 . . . . 0.0 110.989 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -115.88 116.69 28.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 38.2 mt-10 -94.09 153.3 18.2 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.212 0.529 . . . . 0.0 110.546 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.25 -139.34 6.49 Favored Glycine 0 N--CA 1.437 -1.25 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.545 ' CG2' ' HA ' ' A' ' 2' ' ' ARG . 18.3 p -142.16 126.8 17.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.961 0.41 . . . . 0.0 111.055 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.37 131.85 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.972 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.21 -52.16 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.977 0.418 . . . . 0.0 110.554 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.422 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 16.0 ptt180 . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -138.87 132.8 31.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 0.0 110.895 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.454 HG23 ' HG ' ' A' ' 6' ' ' LEU . 8.6 tt -155.56 150.36 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.94 86.33 2.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 110.352 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 45.1 mt -77.0 -4.13 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.076 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 132' ' ' SER . 20.1 t -94.61 -3.11 50.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 71.3 mt -73.53 142.98 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 0.0 110.891 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB2' HD12 ' A' ' 31' ' ' ILE . 15.7 t -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -81.42 -11.38 59.27 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.279 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.42 25.51 7.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.268 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 16.9 m -126.01 120.31 29.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.53 164.61 15.04 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 51' ' ' ILE . 20.9 m -89.96 134.39 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 110.319 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 50' ' ' ILE . 10.2 tt -129.94 133.55 64.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.144 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 65.65 91.77 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.26 133.27 56.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.792 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 30.9 m -62.07 -41.9 98.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.444 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -128.48 139.67 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 110.694 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -149.0 135.46 19.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.728 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -121.75 158.98 27.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -86.39 -20.22 28.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.229 0.538 . . . . 0.0 109.996 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -88.17 -20.98 24.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.708 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -131.32 84.79 55.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.482 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.5 Cg_endo -85.01 140.33 7.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.081 2.521 . . . . 0.0 112.548 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 32.1 Cg_exo -60.99 -14.7 34.55 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.31 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.97 -31.45 65.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.006 0.431 . . . . 0.0 110.36 174.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.93 -43.37 77.32 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.421 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.9 mt -64.64 -54.91 24.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.616 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.3 pt -84.74 -5.97 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.32 -18.86 18.11 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.575 173.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 49.14 6.39 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.607 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.513 ' N ' HD22 ' A' ' 34' ' ' ASN . 0.8 OUTLIER -95.48 120.56 63.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.759 -177.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.676 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 5.7 Cg_exo -80.59 17.3 1.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.994 2.463 . . . . 0.0 112.421 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -81.62 -70.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -109.93 -170.71 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.33 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -143.86 153.19 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.438 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.59 ' HE3' HG12 ' A' ' 128' ' ' VAL . 88.9 t90 -92.16 121.98 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 t -122.16 157.32 31.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.997 0.427 . . . . 0.0 110.839 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.759 HG22 ' HG3' ' A' ' 47' ' ' GLN . 39.4 p -78.53 136.17 37.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.598 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -78.0 -8.01 57.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.699 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.48 -14.64 35.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.815 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.2 tpt -91.29 104.42 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.695 0.283 . . . . 0.0 110.279 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -95.75 156.31 37.49 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.421 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.0 Cg_endo -82.92 171.5 52.15 Favored 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.6 -1.417 . . . . 0.0 112.003 -1.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.759 ' HG3' HG22 ' A' ' 41' ' ' THR . 83.1 mm-40 -107.03 111.3 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.225 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.0 136.37 53.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 35.6 p90 -149.86 133.83 17.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.066 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.487 ' HB ' HG23 ' A' ' 16' ' ' ILE . 57.0 mt -100.13 142.07 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.021 -177.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 15' ' ' VAL . 36.3 mt -117.59 118.98 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' SER . 7.6 p -101.35 119.84 39.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.699 ' HE2' ' HB2' ' A' ' 114' ' ' LEU . 88.0 m-85 -85.2 -20.43 30.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 72.53 -17.15 0.4 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.142 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -136.91 -179.82 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 0.0 110.993 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -88.16 108.56 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HB ' HD13 ' A' ' 6' ' ' LEU . 28.8 m -114.76 143.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.156 0.503 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 3.0 tpt180 -92.56 105.76 17.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.668 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 69.1 mt -89.91 129.29 41.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' OE1' ' HD2' ' A' ' 2' ' ' ARG . 20.3 tt0 -123.57 -35.54 2.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.845 0.355 . . . . 0.0 110.577 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -140.16 148.17 41.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.622 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.8 mp -112.68 116.42 30.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.975 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.26 110.72 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.397 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 mm -112.2 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.321 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -105.84 102.23 11.69 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG23 ' A' ' 128' ' ' VAL . 14.9 p -154.38 177.36 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.92 -177.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.686 ' HD2' HD23 ' A' ' 100' ' ' LEU . 2.4 t80 -129.22 145.86 51.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.784 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 67.56 -100.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.334 0.653 . . . . 0.0 111.592 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.885 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.1 t 55.89 -168.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.849 -174.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.885 ' H ' HG12 ' A' ' 69' ' ' VAL . 6.4 tt0 -170.11 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -109.62 102.99 11.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.146 0.498 . . . . 0.0 111.361 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.9 tp -114.16 109.86 19.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.624 ' HE3' HD12 ' A' ' 117' ' ' ILE . 41.2 pttt -102.14 142.63 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 0.0 109.943 176.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.937 HD12 HG13 ' A' ' 89' ' ' ILE . 39.9 mt -113.45 119.77 61.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.852 -176.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.986 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 51.0 mt-10 -105.94 132.59 51.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.504 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -114.53 143.73 44.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.208 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -143.05 141.79 31.39 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -107.81 11.43 28.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.908 0.385 . . . . 0.0 111.394 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.4 p -86.73 178.68 6.95 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.761 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.28 7.21 46.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 108.918 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.496 ' HB2' HG22 ' A' ' 83' ' ' VAL . 24.3 mt-10 -119.28 156.47 52.79 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.527 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.86 42.87 1.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.651 2.234 . . . . 0.0 112.191 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.7 m -126.17 148.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 111.726 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t70 58.36 92.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.026 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.986 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 79.2 m-85 -113.78 122.07 45.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.58 134.09 36.22 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.483 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.67 106.55 2.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.094 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -75.79 -67.83 0.63 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.104 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.937 HG13 HD12 ' A' ' 74' ' ' ILE . 5.1 pt -140.93 143.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.91 111.69 19.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -114.03 120.38 40.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 4.7 p-10 -97.89 132.76 43.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.77 145.01 25.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.229 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.33 122.44 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -62.85 139.93 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.453 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 2.2 p -117.81 112.6 20.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 172.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.73 103.23 12.86 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.986 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.37 -1.54 53.82 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.189 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.654 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 23.0 mt-30 -122.26 118.53 28.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.686 HD23 ' HD2' ' A' ' 67' ' ' TYR . 3.5 tm? -89.0 116.6 27.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 173.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -107.28 141.07 39.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.44 0.638 . . . . 0.0 112.139 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -102.43 102.22 12.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 165.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.23 143.06 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.035 0.445 . . . . 0.0 111.233 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.76 108.46 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.351 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 70.2 mt -91.57 113.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.994 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.99 105.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.345 0.593 . . . . 0.0 111.197 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.13 120.78 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.908 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.668 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.4 p80 -107.82 121.97 45.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.368 0.604 . . . . 0.0 110.758 -177.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.0 -174.09 35.89 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.651 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -126.19 129.32 48.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.56 121.31 9.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 m -78.03 -31.8 50.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.729 0.776 . . . . 0.0 109.13 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -124.45 124.63 42.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.274 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.699 ' HB2' ' HE2' ' A' ' 53' ' ' PHE . 1.8 tm? -114.7 108.99 17.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -106.39 112.88 26.08 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 111.586 -171.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -90.77 134.34 34.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.36 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' A' ' 73' ' ' LYS . 58.6 mt -130.68 106.44 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 111.137 176.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.4 101.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.815 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 45.7 t -67.8 -49.87 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.616 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 t -154.33 169.13 24.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.843 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.12 30.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.001 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -64.28 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.87 170.85 7.66 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.98 -16.28 55.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.09 0.471 . . . . 0.0 110.158 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -118.29 122.42 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.324 0.583 . . . . 0.0 110.949 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.68 148.1 38.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.025 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -141.48 133.77 28.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.59 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.6 p -113.49 148.87 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.494 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.676 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 1.9 t-80 -106.31 -46.17 4.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.924 0.392 . . . . 0.0 110.349 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -171.05 152.71 3.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.77 146.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 64.7 m -136.44 145.04 44.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.27 117.18 33.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -93.93 135.3 35.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 163.59 -147.81 13.72 Favored Glycine 0 N--CA 1.437 -1.234 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 2' ' ' ARG . 7.7 p -138.47 139.55 38.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.504 0.192 . . . . 0.0 110.604 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.0 120.7 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 0.0 110.162 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.5 t -77.94 -51.88 17.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 0.0 110.381 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.3 p . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.154 -179.025 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ptm . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 2' ' ' ARG . 68.9 mtt180 61.58 -170.91 0.16 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.967 -171.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 53.15 70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.3 0.572 . . . . 0.0 111.688 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.7 tt -103.25 158.93 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.252 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.61 ' HB3' HD13 ' A' ' 8' ' ' LEU . 57.6 m-20 -71.42 89.89 0.95 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.28 0.562 . . . . 0.0 111.069 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 26.0 mt -78.08 -11.66 59.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.951 -172.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 31' ' ' ILE . 36.7 t -92.47 -4.06 54.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -168.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.61 HD13 ' HB3' ' A' ' 5' ' ' ASP . 9.2 mp -91.38 158.26 16.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -174.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 31' ' ' ILE . 26.9 t -74.21 -21.3 59.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.437 177.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 m -63.47 -24.54 67.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.677 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -99.5 7.7 45.16 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.806 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.73 30.82 34.61 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.179 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 m -118.47 116.02 25.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.853 0.326 . . . . 0.0 110.178 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -109.05 175.46 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.321 . . . . 0.0 110.948 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.58 147.6 15.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 111.272 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.728 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.7 tt -145.09 163.22 12.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.666 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' HG12 ' A' ' 16' ' ' ILE . 1.0 OUTLIER 67.24 24.54 9.11 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.691 0.397 . . . . 0.0 112.006 169.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.12 106.49 2.41 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.786 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -56.34 -53.16 60.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.178 0.513 . . . . 0.0 110.812 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' A' ' 44' ' ' MET . 45.0 t -108.84 105.2 14.66 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -125.12 117.82 24.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.125 0.488 . . . . 0.0 110.566 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 9.4 t0 -93.55 146.89 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.257 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -93.08 -22.84 18.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.784 -176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -102.92 -18.62 14.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.236 0.541 . . . . 0.0 110.204 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 57.4 m80 -111.04 74.61 1.01 Allowed Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 165.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.22 126.41 8.5 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.626 2.217 . . . . 0.0 113.614 -166.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.66 -16.48 19.39 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.361 2.707 . . . . 0.0 112.651 175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -59.43 -22.83 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.611 0.243 . . . . 0.0 110.762 175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 3.3 p30 -66.22 -27.44 67.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.68 -39.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.35 0.595 . . . . 0.0 110.483 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 9' ' ' SER . 13.9 pt -96.83 11.4 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.518 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.0 t70 -104.98 -59.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.262 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.19 31.2 6.29 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.988 174.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -97.22 122.84 54.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 117.342 0.571 . . . . 0.0 110.359 173.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.13 -31.3 92.94 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.448 2.765 . . . . 0.0 113.623 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -68.96 -16.48 63.75 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 p -115.72 146.68 41.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.839 0.352 . . . . 0.0 111.561 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -154.13 161.24 42.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.403 173.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.796 ' HE3' HG12 ' A' ' 128' ' ' VAL . 77.4 t90 -100.08 121.59 41.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 t -125.4 147.72 49.07 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.71 146.57 37.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.068 0.461 . . . . 0.0 111.645 -176.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.5 p -88.47 3.5 49.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.162 0.506 . . . . 0.0 110.41 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.96 41.49 0.83 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.041 -0.599 . . . . 0.0 113.013 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.563 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 1.4 mpt? -112.43 96.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.807 -0.231 . . . . 0.0 110.853 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -106.99 128.66 25.65 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.14 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.783 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.7 Cg_exo -76.67 164.26 87.88 Favored 'Cis proline' 0 N--CA 1.463 -0.276 0 C-N-CA 123.488 -1.463 . . . . 0.0 112.043 -1.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.618 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 8.3 pt20 -117.76 113.76 22.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.29 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.9 pt-20 -124.8 153.55 42.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 111.156 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -159.82 155.44 25.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 16' ' ' ILE . 56.0 mt -113.19 140.35 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.934 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -109.21 118.39 56.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.9 m -93.8 109.38 21.06 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.875 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 91.9 m-85 -72.91 -29.03 62.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.015 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 141' ' ' LEU . 97.5 m-70 65.99 13.11 8.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.564 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.5 pttm -158.26 163.67 37.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.105 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -88.25 107.47 18.82 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.517 HG13 ' HG3' ' A' ' 55' ' ' LYS . 27.2 m -114.59 149.47 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 0.0 OUTLIER -101.9 107.74 19.0 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.93 127.47 43.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.387 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.26 -28.52 8.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.212 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.734 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 64.1 mtt180 -144.96 154.92 43.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.097 177.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.9 mp -118.53 113.97 22.11 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.9 107.57 20.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 131' ' ' VAL . 48.9 mt -119.07 118.28 57.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.131 0.491 . . . . 0.0 111.028 -175.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 100' ' ' LEU . 48.1 tt0 -113.5 102.2 10.08 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.3 m -140.53 170.96 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.749 0.309 . . . . 0.0 111.189 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -122.58 153.88 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 73.38 -23.55 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 167.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.9 t -53.04 135.89 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 122.8 0.44 . . . . 0.0 112.186 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -113.87 -68.37 0.93 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 p -106.14 108.99 20.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.032 0.444 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 tp -107.71 103.3 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.587 . . . . 0.0 110.624 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 31.0 tttp -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.838 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.58 ' HB ' HG13 ' A' ' 89' ' ' ILE . 58.1 mt -93.12 116.76 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 35.1 tt0 -117.0 142.9 46.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 11.3 ptmm? -122.5 154.97 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 111.914 -174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 44.4 t -140.71 140.82 34.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.928 174.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -121.32 25.41 9.48 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.51 0.672 . . . . 0.0 109.562 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -84.16 -171.49 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.208 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.845 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 20.3 ptmt -102.88 -15.54 16.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.841 176.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.845 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 38.4 mt-10 -119.17 165.18 17.84 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -70.1 46.11 0.53 Allowed 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.294 2.663 . . . . 0.0 112.277 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.544 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.1 m -143.45 -178.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 C-N-CA 122.905 0.482 . . . . 0.0 110.117 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.9 t0 57.25 84.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.387 0.613 . . . . 0.0 111.552 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.447 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 68.3 m-85 -116.82 166.98 11.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.797 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -138.33 134.93 34.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.309 173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -64.95 118.08 8.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.455 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 8.1 t90 -96.16 -68.93 0.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 -172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 74' ' ' ILE . 2.2 pt -144.82 95.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.297 0.57 . . . . 0.0 111.323 -177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -89.14 103.65 16.25 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -122.01 147.6 45.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.967 0.413 . . . . 0.0 110.876 -174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.6 145.38 26.22 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.488 174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 94' ' ' VAL . 5.1 tt -112.14 147.01 37.03 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.442 ' O ' HD23 ' A' ' 93' ' ' LEU . 68.0 t -81.47 132.66 30.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -57.05 106.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.056 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 101' ' ' GLN . 33.7 p -98.28 110.67 23.21 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 121.865 0.841 . . . . 0.0 112.058 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.58 101.18 10.84 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.667 -1.152 . . . . 0.0 110.111 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.94 21.71 78.27 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.223 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -125.52 117.81 24.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.023 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 100' ' ' LEU . 26.6 mt -74.62 97.63 3.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.499 175.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.673 ' HB2' HG21 ' A' ' 96' ' ' THR . 8.4 tp-100 -93.62 103.55 15.71 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.83 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -83.37 112.15 19.65 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.38 110.15 21.54 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.446 0.641 . . . . 0.0 111.2 -175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -85.25 94.29 8.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.177 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 67.5 mt -95.28 110.67 24.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.36 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.7 m -82.45 87.67 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.783 0.801 . . . . 0.0 110.512 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -124.71 122.81 38.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.292 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -109.28 110.55 21.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.355 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.11 160.42 34.09 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.79 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.4 m -100.88 135.06 42.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.4 157.85 43.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.195 0.521 . . . . 0.0 111.842 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.5 p -118.41 -28.61 5.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.856 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.545 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 80.3 m-85 -137.01 142.62 42.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.814 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 82.6 mt -129.13 130.73 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.512 ' HG3' HG12 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -110.93 108.9 18.83 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 32.7 m-85 -88.95 109.75 20.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.079 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.785 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.2 mt -105.67 97.66 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.315 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.618 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 30.9 mt -85.1 96.71 4.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.783 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 36.1 t -65.94 -51.27 62.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.989 -173.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.2 m -146.2 164.12 33.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.464 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.97 165.83 25.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.397 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.61 -21.24 61.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.475 0.655 . . . . 0.0 109.949 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.12 151.82 37.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.032 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -78.45 11.56 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.074 0.464 . . . . 0.0 111.445 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -133.42 122.39 23.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.0 134.18 55.21 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 11.6 p -132.14 125.83 32.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.395 0.616 . . . . 0.0 111.63 -176.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.796 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -97.15 131.89 42.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 173.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -104.36 -40.27 6.15 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.79 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -156.16 131.48 9.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.638 0.256 . . . . 0.0 110.623 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 64' ' ' ILE . 18.1 m -136.41 140.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.482 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 22.7 t -149.87 147.08 27.52 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.62 125.91 51.53 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 64.3 mt-10 -94.09 107.67 19.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.336 0.589 . . . . 0.0 110.404 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -174.73 -147.52 6.19 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.26 156.01 42.56 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 117.54 0.67 . . . . 0.0 110.846 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.442 HG12 HG12 ' A' ' 57' ' ' VAL . 24.0 m -75.54 130.41 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.31 178.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 38.9 t -98.97 -41.81 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 110.421 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.6 m -132.42 124.73 29.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -79.4 137.72 37.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 171.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 49.5 tp -62.9 -52.19 64.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.756 0.312 . . . . 0.0 111.503 -174.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 p -91.67 8.31 37.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.118 -174.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 42.5 m . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.612 -179.65 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.9 ptp85 -167.35 23.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HA ' ' HB3' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -145.25 68.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.685 -0.806 . . . . 0.0 112.827 179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tt -101.99 136.37 34.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 169.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -70.43 96.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.479 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -83.81 -8.02 59.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.941 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.0 m -92.97 -3.69 54.02 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.58 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 66.8 mt -65.93 137.23 57.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.917 0.389 . . . . 0.0 111.166 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' SER . 16.8 m -66.31 -15.9 63.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.849 174.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -73.66 -23.9 59.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.583 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -84.8 -7.6 59.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.527 177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.64 6.71 54.51 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.327 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' SER . 20.4 m -86.84 121.82 29.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.569 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -116.2 157.37 24.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.161 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -93.15 143.01 12.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.198 0.523 . . . . 0.0 110.796 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 50' ' ' ILE . 8.2 tt -139.6 130.35 32.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.468 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.2 tt 70.34 90.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.671 0.607 . . . . 0.0 110.38 177.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.6 130.02 54.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.205 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.2 m -53.58 -55.31 26.82 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -117.98 145.39 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -145.56 132.05 19.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.714 0.292 . . . . 0.0 110.326 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -116.46 154.53 30.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.356 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.68 -40.78 69.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 111.168 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.57 -33.49 31.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.977 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -129.92 81.52 68.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.907 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' HD2' ' OD1' ' A' ' 29' ' ' ASN . 60.1 Cg_endo -73.56 155.65 49.95 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.51 2.14 . . . . 0.0 111.854 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.58 -9.51 18.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.048 2.499 . . . . 0.0 112.922 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.02 -14.0 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.032 0.444 . . . . 0.0 110.23 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.492 ' OD1' ' HD2' ' A' ' 26' ' ' PRO . 10.7 m120 -86.1 -1.66 57.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.292 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 130' ' ' SER . 67.3 mt -69.99 -23.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.729 0.776 . . . . 0.0 109.109 174.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 8' ' ' LEU . 40.2 mt -107.96 -87.13 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.075 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 20.6 t70 69.27 -46.14 0.57 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.901 0.88 . . . . 0.0 113.101 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.57 -6.44 33.58 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 93.3 m-20 -121.17 113.16 32.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.469 ' HA ' ' OG ' ' A' ' 130' ' ' SER . 16.8 Cg_exo -68.2 -6.62 17.77 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.177 2.584 . . . . 0.0 112.095 -179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.28 -17.56 61.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.569 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.84 159.74 15.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.177 -176.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -153.9 158.79 41.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.838 0.351 . . . . 0.0 111.472 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' HE3' HG12 ' A' ' 128' ' ' VAL . 33.2 t90 -125.38 148.17 48.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.05 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 126' ' ' ALA . 7.9 t -136.97 147.51 46.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.816 0.341 . . . . 0.0 110.472 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -76.83 151.61 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 p -89.52 36.36 0.84 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.051 0.453 . . . . 0.0 111.371 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.6 25.23 54.36 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.037 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 88.4 mtp -112.43 108.39 17.51 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -106.7 146.58 33.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.626 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -84.3 178.43 26.47 Favored 'Cis proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.325 -1.531 . . . . 0.0 112.029 -1.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.464 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 1.0 OUTLIER -107.24 111.72 24.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.651 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -114.99 128.14 56.1 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.873 178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 33.4 p90 -147.39 134.84 20.79 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.36 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 114' ' ' LEU . 67.1 mt -109.27 135.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -110.91 121.77 64.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 47.9 t -97.7 117.03 31.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.283 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 91.7 m-85 -72.76 -29.41 63.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.653 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 66.38 2.81 2.56 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.711 -174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.811 ' HD2' ' HA ' ' A' ' 140' ' ' ASN . 48.4 mtmt -136.54 173.35 11.8 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.292 -172.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.537 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 22.8 m-70 -100.74 105.67 17.02 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.691 HG12 HG23 ' A' ' 137' ' ' VAL . 34.6 m -121.88 146.77 26.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.117 0.484 . . . . 0.0 111.302 -176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -102.41 117.12 34.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.244 175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 87.5 mt -89.67 129.35 40.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.286 0.565 . . . . 0.0 110.677 -178.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.478 ' HB3' ' HA2' ' A' ' 135' ' ' GLY . 4.2 tp10 -111.58 -22.34 11.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.875 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.77 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 18.8 ttt180 -162.32 155.77 20.61 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.291 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -132.31 117.53 18.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.7 t -98.49 102.33 13.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.046 0.451 . . . . 0.0 109.819 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -102.16 124.58 56.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.912 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -120.51 102.45 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.087 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 101' ' ' GLN . 24.2 m -149.96 -174.62 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.496 -175.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.556 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -140.0 159.83 41.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.187 175.098 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 65.48 -96.75 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.85 0.719 . . . . 0.0 111.191 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.892 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.8 t 55.9 -168.28 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 123.538 0.524 . . . . 0.0 110.214 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.892 ' H ' HG12 ' A' ' 69' ' ' VAL . 36.2 tt0 177.44 -68.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -118.42 101.49 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.435 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.614 HD13 HG12 ' A' ' 118' ' ' ILE . 43.9 tp -116.51 116.43 27.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.086 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.707 ' HE2' ' HB2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -100.18 130.24 46.29 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.586 177.058 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.547 HD12 HG13 ' A' ' 89' ' ' ILE . 47.3 mt -98.71 102.57 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.889 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.707 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 18.2 tt0 -107.22 133.17 52.19 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.148 -177.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HD2' ' CD2' ' A' ' 88' ' ' TRP . 15.1 ptmm? -118.87 150.93 39.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.515 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 65.7 m -134.21 118.46 17.64 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.104 0.478 . . . . 0.0 110.293 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -100.42 32.08 3.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 m -85.29 164.15 18.19 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.486 -1.233 . . . . 0.0 111.251 -172.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -89.28 -16.48 31.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.388 177.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 62.9 mm-40 -116.5 164.21 19.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.672 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 84.8 Cg_endo -77.99 34.43 0.48 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.298 1.999 . . . . 0.0 112.514 177.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.9 m -137.32 -173.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.872 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 61.55 98.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.433 0.635 . . . . 0.0 110.052 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -105.44 128.46 53.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.533 -171.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -104.09 120.89 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.371 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.68 138.89 58.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.055 176.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.401 ' CD2' ' HD2' ' A' ' 76' ' ' LYS . 10.7 t90 -130.83 -79.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.841 -176.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.547 HG13 HD12 ' A' ' 74' ' ' ILE . 5.5 pt -142.68 156.82 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.934 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -120.01 140.58 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.08 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE3' HG12 ' A' ' 105' ' ' ILE . 35.4 mmtt -128.54 107.48 9.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.534 0.683 . . . . 0.0 111.399 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -99.44 126.28 45.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.05 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.421 HD12 HG21 ' A' ' 69' ' ' VAL . 82.7 mt -111.26 152.79 26.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.607 -176.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -112.87 147.81 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.78 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -64.99 103.31 0.71 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.093 0.473 . . . . 0.0 110.178 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 2.6 p -91.6 137.28 32.49 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.719 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.91 117.1 32.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.47 -25.87 4.84 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.496 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.505 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 19.8 tt0 -93.53 118.5 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.792 0.329 . . . . 0.0 110.623 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 4.2 tt -77.88 137.19 38.23 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.512 ' N ' HD23 ' A' ' 100' ' ' LEU . 73.7 mm-40 -72.37 83.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 0.0 111.492 -178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -97.41 95.21 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 168.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.98 121.32 40.78 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -174.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HG2' ' NH2' ' A' ' 61' ' ' ARG . 2.5 mp0 -99.13 92.99 5.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.607 0.718 . . . . 0.0 109.819 174.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 59.6 mt -86.87 95.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.674 -176.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.07 105.92 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.403 0.621 . . . . 0.0 109.961 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.84 131.74 16.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -99.44 120.58 39.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.79 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.454 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -167.1 140.05 6.08 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.466 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.8 m -100.52 131.34 46.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.47 155.63 39.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 111.803 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 p -106.73 -30.7 8.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.513 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 64.1 m-85 -130.11 137.88 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.259 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 32.7 mt -114.73 122.35 46.16 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.46 ' HE ' HD11 ' A' ' 117' ' ' ILE . 52.2 ttt85 -110.76 96.06 5.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.352 0.596 . . . . 0.0 110.425 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.26 123.17 30.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.106 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.596 HD12 ' HD2' ' A' ' 73' ' ' LYS . 81.8 mt -122.5 107.23 19.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.103 0.478 . . . . 0.0 110.97 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.614 HG12 HD13 ' A' ' 72' ' ' LEU . 52.9 mt -87.88 102.3 12.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 174.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.658 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -74.43 -41.05 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.929 -174.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.0 m -151.07 160.7 43.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.601 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.56 162.35 37.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.601 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -64.26 -23.66 67.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.265 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -126.04 -176.92 3.77 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -90.9 -18.31 24.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 109.571 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.29 122.37 45.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.316 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 40' ' ' THR . . . -114.56 112.41 22.89 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 29.9 p -104.99 114.03 27.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.086 0.469 . . . . 0.0 111.467 -174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.426 HG12 ' HE3' ' A' ' 39' ' ' TRP . 6.3 p -104.68 132.11 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.451 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -84.97 -64.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.602 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.616 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 42.1 m -152.59 144.22 23.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.55 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 30' ' ' ILE . 13.3 m -121.04 122.69 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.888 175.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -120.59 138.43 53.9 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.475 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.45 26.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 53.5 mt-10 -94.24 139.94 30.41 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 60' ' ' GLU . . . 171.05 -141.81 6.7 Favored Glycine 0 N--CA 1.432 -1.593 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.604 HG23 ' HA ' ' A' ' 2' ' ' ARG . 22.9 p -138.29 126.35 22.75 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.197 0.522 . . . . 0.0 110.433 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.691 HG23 HG12 ' A' ' 57' ' ' VAL . 7.9 p -84.34 137.02 21.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.522 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.32 -58.28 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.967 0.413 . . . . 0.0 110.788 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.537 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 36.6 m -124.88 110.93 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.808 -177.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.811 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 50.0 m-80 -85.91 90.99 8.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.096 0.474 . . . . 0.0 110.592 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.5 tp -93.58 54.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.508 0.67 . . . . 0.0 110.258 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.46 ' OG ' ' HD3' ' A' ' 55' ' ' LYS . 60.7 m -105.08 109.92 22.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.719 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.69 177.032 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 51.32 34.8 12.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 111.676 177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -146.94 112.53 5.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 6.3 tt -154.01 146.24 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.134 -170.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.36 93.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.693 HD13 ' HB ' ' A' ' 57' ' ' VAL . 89.9 mt -77.88 0.75 22.85 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.9 m -94.23 -3.61 50.43 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.211 -0.305 . . . . 0.0 111.566 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 74.6 mt -72.15 144.89 48.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 111.472 -176.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -17.37 64.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.94 0.4 . . . . 0.0 110.366 171.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -68.89 -22.46 64.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.416 0.627 . . . . 0.0 109.485 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 8.2 mm-40 -89.01 -15.98 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.889 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.88 5.31 35.81 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.326 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -81.51 144.21 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.102 0.477 . . . . 0.0 110.813 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.02 138.48 51.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.309 -175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -90.1 125.96 42.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.412 0.625 . . . . 0.0 109.956 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.655 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.8 tt -124.58 114.7 41.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.835 -174.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 16' ' ' ILE . 87.0 mt 73.97 131.85 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.52 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.56 146.4 28.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -66.01 -35.88 81.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.986 0.422 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 m -127.85 147.48 50.45 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -144.27 106.04 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 0.0 110.097 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -104.26 150.6 24.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.26 -13.58 32.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.05 0.452 . . . . 0.0 110.584 -178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -89.59 -36.2 15.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -116.97 84.63 16.41 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.315 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 14.1 Cg_exo -66.92 127.44 16.94 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.442 2.095 . . . . 0.0 111.893 -175.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.448 ' O ' HG22 ' A' ' 30' ' ' ILE . 51.4 Cg_exo -56.17 -29.92 77.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.929 2.42 . . . . 0.0 111.86 177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.55 -17.97 57.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.382 178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -84.81 -3.49 58.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.637 0.256 . . . . 0.0 110.889 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 31' ' ' ILE . 10.7 tt -70.41 -27.7 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.249 0.547 . . . . 0.0 109.873 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 30' ' ' ILE . 15.1 pt -102.34 6.43 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.854 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -82.94 -57.84 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.24 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.27 -8.39 35.45 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.063 172.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.6 m-80 -83.59 131.46 52.34 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 117.787 0.794 . . . . 0.0 110.756 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 3.7 Cg_exo -78.47 13.77 1.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.813 2.342 . . . . 0.0 112.875 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -70.53 -40.21 73.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.242 0.544 . . . . 0.0 110.0 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -151.1 119.27 6.31 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.669 175.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 30.1 p90 -112.6 164.66 13.06 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.613 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -85.5 144.24 28.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.325 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 t -147.04 141.66 26.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.508 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.727 HG22 ' H ' ' A' ' 43' ' ' GLY . 27.5 m -78.61 138.39 38.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.286 178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -85.54 6.3 27.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.723 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.727 ' H ' HG22 ' A' ' 41' ' ' THR . . . 104.8 47.19 1.2 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.854 172.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 51.5 ttp -123.47 117.62 25.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 117.211 0.505 . . . . 0.0 109.807 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -106.5 141.06 22.0 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.985 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.4 165.48 80.41 Favored 'Cis proline' 0 N--CA 1.464 -0.236 0 C-N-CA 123.581 -1.425 . . . . 0.0 112.275 -0.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.636 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 57.2 mt-30 -106.99 111.51 24.03 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.68 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -124.12 134.97 53.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.165 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -152.1 149.12 28.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.741 175.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 16' ' ' ILE . 42.8 mt -118.99 143.67 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.035 0.445 . . . . 0.0 110.837 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.7 mt -119.15 118.66 58.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 54' ' ' HIS . 53.7 t -102.78 118.82 37.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.6 m-85 -71.28 -20.19 62.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.792 -176.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.473 ' HD2' ' SG ' ' A' ' 52' ' ' CYS . 17.3 m170 63.44 12.57 6.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.377 0.423 . . . . 0.0 110.694 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -161.23 154.99 22.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.087 -168.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -88.03 115.79 25.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.693 ' HB ' HD13 ' A' ' 6' ' ' LEU . 15.9 m -125.41 141.72 44.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.233 0.54 . . . . 0.0 111.628 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.63 ' HG2' HG22 ' A' ' 138' ' ' VAL . 15.5 mmm-85 -84.3 108.12 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.739 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.8 mt -95.5 117.38 39.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 O-C-N 123.657 0.598 . . . . 0.0 109.788 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -124.6 4.64 8.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.549 0.69 . . . . 0.0 109.609 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.511 ' HB3' ' HB2' ' A' ' 134' ' ' GLU . 16.2 tpp85 -158.34 136.19 10.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.649 -177.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.574 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 88.8 mt -123.64 115.31 21.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 172.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.87 102.49 13.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 102' ' ' ASN . 35.2 mm -100.22 105.51 17.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.27 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -108.55 105.48 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 p -140.42 165.68 26.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.861 0.363 . . . . 0.0 111.838 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -113.21 128.6 56.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.186 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 69.32 -93.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.785 0.678 . . . . 0.0 111.687 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.886 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.7 t 52.65 -158.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 O-C-N 123.363 0.415 . . . . 0.0 109.917 -176.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.886 ' H ' HG12 ' A' ' 69' ' ' VAL . 28.8 tt0 177.53 -72.76 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.262 0.625 . . . . 0.0 109.745 175.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 m -110.41 100.07 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.251 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 118' ' ' ILE . 38.4 tp -118.34 113.58 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 -176.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.715 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.7 OUTLIER -100.94 123.26 44.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.983 0.421 . . . . 0.0 110.157 175.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.672 HD12 HG13 ' A' ' 89' ' ' ILE . 66.4 mt -93.11 118.53 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.975 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.795 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 14.3 tt0 -105.43 133.84 49.53 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 88' ' ' TRP . 22.2 ptmt -112.81 144.33 42.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.759 0.314 . . . . 0.0 111.303 -174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.5 t -143.02 136.87 28.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 111' ' ' ALA . 0.8 OUTLIER -132.05 24.15 4.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.977 177.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 t -92.83 14.23 18.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.861 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 71.81 -49.29 0.69 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.172 0.589 . . . . 0.0 111.029 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -86.31 158.68 54.71 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.75 56.35 2.89 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.829 2.353 . . . . 0.0 111.745 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.6 m -137.92 172.97 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.25 52.47 12.03 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.081 0.863 . . . . 0.0 112.509 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.774 ' HB2' ' HG2' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -93.5 128.61 39.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.01 174.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -123.16 157.9 31.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.163 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -60.01 125.27 23.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.113 -176.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 76' ' ' LYS . 9.7 t90 -100.75 -74.11 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.672 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -141.76 105.7 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.309 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.482 ' HB3' ' HA ' ' A' ' 73' ' ' LYS . 9.0 pt-20 -96.28 134.91 38.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.082 0.468 . . . . 0.0 110.06 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -128.36 141.52 51.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.655 -174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.8 p-10 -94.89 127.97 41.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 170.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -102.65 162.25 13.07 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -172.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.4 t -97.23 139.56 19.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.063 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -72.96 105.69 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.804 0.335 . . . . 0.0 110.487 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.6 p -96.51 140.89 30.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.177 0.513 . . . . 0.0 111.296 178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -103.86 103.69 13.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.713 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.04 13.49 76.05 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.625 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.542 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.8 mm100 -121.45 144.8 48.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.906 0.384 . . . . 0.0 111.048 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' A' ' 129' ' ' HIS . 6.9 mt -80.09 127.51 32.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 175.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.605 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -85.37 94.13 8.89 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 171.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 84.9 m-20 -102.03 104.79 15.47 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.58 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.0 112.55 25.58 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.979 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.59 85.61 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 62.2 mt -79.99 125.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.627 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.07 86.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.49 118.09 35.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.311 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -99.07 104.68 16.72 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.017 0.437 . . . . 0.0 109.901 -177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.21 -172.17 34.1 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.867 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.5 m -143.3 136.7 28.22 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.639 ' HA ' HG23 ' A' ' 78' ' ' THR . . . -148.92 147.94 29.24 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.002 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 15.8 p -100.78 -25.16 14.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.947 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.805 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 63.3 m-85 -132.69 127.2 34.29 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.106 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.2 mt -114.97 116.3 28.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.795 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 62.6 ttt180 -106.62 106.78 17.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.769 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -89.75 115.22 26.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.092 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.715 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 68.8 mt -114.16 102.98 14.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.438 0.637 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 58.5 mt -86.82 101.12 10.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.038 174.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 42.7 t -68.22 -42.82 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.373 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 p -154.98 163.16 40.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -139.29 162.54 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.966 179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -67.13 -31.56 72.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 110.468 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -110.46 168.15 9.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.002 177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -76.33 -22.43 54.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.016 0.436 . . . . 0.0 110.41 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -115.92 148.33 40.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.88 139.86 43.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.239 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 m -127.42 142.85 51.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.314 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 14.4 p -114.6 138.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.474 ' HB2' HD21 ' A' ' 100' ' ' LEU . 10.7 t60 -96.01 -55.84 2.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.9 m -158.54 125.65 4.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.116 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.26 91.72 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.368 0.604 . . . . 0.0 109.972 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.7 m -109.26 148.33 31.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.843 -172.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.67 123.81 51.13 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 27.5 mt-10 -107.18 150.73 26.3 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.161 0.505 . . . . 0.0 110.855 -176.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 154.3 -130.92 3.03 Favored Glycine 0 N--CA 1.44 -1.082 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.3 p -150.1 163.0 39.31 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.063 0.432 . . . . 0.0 111.37 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -84.49 132.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.759 0.314 . . . . 0.0 111.228 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.63 HG22 ' HG2' ' A' ' 58' ' ' ARG . 40.9 t -89.84 -71.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 22.7 p -143.05 147.27 34.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -102.42 152.01 21.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.686 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.7 mp -93.85 46.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 m -58.31 -38.0 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.096 -173.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.532 -178.854 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mmt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 136' ' ' THR . 48.0 ttt180 -88.9 154.81 19.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.95 178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' HG2' ' OE2' ' A' ' 134' ' ' GLU . 51.3 mttm 70.46 89.43 0.1 Allowed 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.771 0.796 . . . . 0.0 110.926 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tt -138.59 145.41 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.657 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.28 102.78 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 110.314 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' A' ' 57' ' ' VAL . 30.7 mt -83.77 4.83 27.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.052 -174.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.23 -5.61 46.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.771 0.319 . . . . 0.0 110.87 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.53 133.09 46.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.949 0.404 . . . . 0.0 111.338 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.728 ' HB3' HD12 ' A' ' 31' ' ' ILE . 54.8 p -66.3 -15.41 63.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.202 175.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 p -78.64 -17.65 55.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.812 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -87.01 -9.48 55.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.512 175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.41 3.58 35.27 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.286 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 135.27 41.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.033 0.444 . . . . 0.0 110.23 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -137.93 134.47 35.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.937 -173.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.797 HG21 ' HB2' ' A' ' 27' ' ' PRO . 15.3 m -84.27 130.44 35.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.278 0.561 . . . . 0.0 110.674 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.421 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.8 tt -130.67 133.08 63.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 62.14 80.11 0.24 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.656 0.741 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.47 143.91 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.053 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.3 m -68.76 -38.33 80.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.812 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -167.35 169.63 12.19 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 34.4 t -172.6 159.77 4.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.787 0.327 . . . . 0.0 110.355 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.893 ' HB2' ' HB2' ' A' ' 25' ' ' HIS . 7.3 m-20 -92.19 161.96 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 24' ' ' LYS . 8.1 pt-20 -76.37 -36.54 58.1 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.868 0.366 . . . . 0.0 110.54 177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG3' ' HG3' ' A' ' 23' ' ' GLU . 63.7 mttp -99.79 -0.5 39.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.447 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.893 ' HB2' ' HB2' ' A' ' 22' ' ' ASP . 28.5 m80 -129.27 72.48 81.97 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 98.4 Cg_endo -93.18 162.59 2.54 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.952 2.434 . . . . 0.0 113.187 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.797 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.2 Cg_exo -66.71 -12.38 35.67 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.904 2.402 . . . . 0.0 111.119 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -56.57 -31.01 63.8 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.515 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 29.1 t-20 -69.88 -30.81 68.34 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -63.8 -35.23 72.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.213 0.53 . . . . 0.0 110.181 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.728 HD12 ' HB3' ' A' ' 9' ' ' SER . 31.0 pt -98.79 6.59 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.596 177.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 19.0 t70 -101.26 -67.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.776 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.86 27.17 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.585 -0.817 . . . . 0.0 114.246 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 49.5 t30 -84.32 116.75 66.49 Favored Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 117.724 0.762 . . . . 0.0 110.588 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 24.6 Cg_exo -63.64 -14.14 40.9 Favored 'Trans proline' 0 N--CA 1.477 0.551 0 C-N-CA 123.667 2.911 . . . . 0.0 114.26 -173.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.35 -27.71 69.2 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.419 HG23 ' ND2' ' A' ' 29' ' ' ASN . 9.2 t -138.53 163.82 31.02 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 10.4 p90 -154.2 169.48 23.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.29 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.665 ' HE3' HG12 ' A' ' 128' ' ' VAL . 82.1 t90 -94.43 113.53 25.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 0.0 109.64 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.8 t -103.42 146.32 28.67 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.1 p -76.67 125.62 29.56 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.96 11.02 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.885 0.374 . . . . 0.0 111.716 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 94.14 14.61 51.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.986 -0.625 . . . . 0.0 112.993 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.519 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 25.6 mmt -94.22 88.82 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.757 -0.261 . . . . 0.0 110.549 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.85 132.64 20.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.968 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.62 163.58 74.06 Favored 'Cis proline' 0 C--O 1.234 0.314 0 C-N-CA 123.256 -1.56 . . . . 0.0 112.347 -1.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' MET . 14.6 pt20 -134.71 149.82 50.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -175.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -135.82 150.35 49.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.262 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -148.9 133.04 17.31 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.496 HG12 ' HG3' ' A' ' 115' ' ' ARG . 58.0 mt -105.93 134.83 46.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.913 -176.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.1 mt -109.36 114.77 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.448 . . . . 0.0 109.918 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 t -93.89 112.04 23.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.9 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 90.9 m-85 -71.95 -19.17 61.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.023 0.44 . . . . 0.0 109.887 177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 67.59 -2.51 1.32 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.326 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.611 ' HB3' HD22 ' A' ' 141' ' ' LEU . 59.3 pttt -147.68 176.71 9.88 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.586 -178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 51.3 m-70 -95.61 115.51 27.54 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.3 m -117.5 140.86 38.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.25 0.548 . . . . 0.0 111.177 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 58' ' ' ARG . 38.9 ttm180 -96.64 108.39 20.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.254 177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 70.7 mt -92.24 126.86 44.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.39 -44.43 7.56 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.629 ' HG2' ' HA ' ' A' ' 106' ' ' VAL . 82.7 mtm180 -144.01 151.26 39.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.628 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.4 mp -109.89 108.97 19.44 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 175.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.2 t -91.34 98.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 131' ' ' VAL . 45.9 mt -105.92 119.56 55.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -103.37 102.21 12.14 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 173.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.438 ' HB3' HG23 ' A' ' 128' ' ' VAL . 36.2 p -149.56 143.22 25.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.571 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -128.11 145.06 51.12 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.41 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 38.6 m-85 74.74 2.31 4.01 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.02 0.825 . . . . 0.0 112.209 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.594 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 32.1 t -76.69 144.22 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 3.9 tm0? -113.2 -88.17 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.901 176.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.9 m -86.98 106.56 17.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 111.026 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.527 HD11 ' HD1' ' A' ' 116' ' ' PHE . 27.0 tp -114.77 114.59 25.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.634 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 86.2 tttt -95.94 115.67 27.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.495 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.489 HD12 HG13 ' A' ' 89' ' ' ILE . 52.5 mt -93.45 99.25 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 20.0 tt0 -96.78 136.65 37.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.477 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . 27.4 ttmt -106.59 138.76 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.772 0.32 . . . . 0.0 111.308 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.818 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 33.1 m -136.1 128.57 30.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.01 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.441 HG22 ' HA ' ' A' ' 111' ' ' ALA . 44.0 p -109.22 12.67 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.365 0.602 . . . . 0.0 110.49 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 m -85.53 171.39 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.907 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -76.99 -28.92 55.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' HB2' HG22 ' A' ' 83' ' ' VAL . 11.2 mm-40 -100.8 161.03 25.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.593 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.39 44.67 1.26 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.427 2.084 . . . . 0.0 112.353 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.8 m -129.79 179.75 3.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.485 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 64.91 87.53 0.11 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -103.7 133.8 48.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.777 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.607 ' HG3' ' HB3' ' A' ' 76' ' ' LYS . 10.4 pt-20 -124.61 142.5 51.32 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 170.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.74 98.18 10.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.976 0.417 . . . . 0.0 110.471 -176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -75.46 -73.43 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.395 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.582 HD12 HG21 ' A' ' 105' ' ' ILE . 1.1 pt -147.82 107.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.162 0.506 . . . . 0.0 111.831 -175.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -91.97 113.4 25.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 171.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -123.92 129.25 50.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.024 0.44 . . . . 0.0 110.415 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.56 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 13.6 p-10 -95.16 131.94 40.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.092 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 30.8 tp -80.65 148.24 30.31 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.454 -177.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.09 168.72 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -106.82 121.08 43.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.948 0.404 . . . . 0.0 110.092 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.892 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 13.5 p -131.65 111.39 11.65 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.19 0.519 . . . . 0.0 110.563 173.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -68.59 111.98 5.09 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.069 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.48 3.3 66.01 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.554 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.892 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 16.2 mm100 -109.22 115.44 30.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.6 97.92 9.33 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.934 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -95.84 116.22 28.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.405 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -79.48 135.65 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.485 ' HG3' HG13 ' A' ' 105' ' ' ILE . 14.7 tp10 -97.37 101.94 13.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.239 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -96.56 100.35 11.93 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 89' ' ' ILE . 77.2 mt -91.62 104.96 16.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.629 ' HA ' ' HG2' ' A' ' 61' ' ' ARG . 4.0 p -78.32 98.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.944 0.878 . . . . 0.0 110.414 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.74 121.76 14.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.704 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 47.1 m80 -99.11 114.32 26.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.857 0.361 . . . . 0.0 110.533 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.61 178.26 34.9 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.356 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.9 m -138.26 123.66 19.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 78' ' ' THR . . . -144.85 164.53 30.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.929 0.395 . . . . 0.0 111.311 -176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.7 p -110.37 -29.28 8.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.677 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.818 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 50.8 m-85 -127.84 131.14 49.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.494 178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.558 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 33.1 mt -114.77 123.62 49.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 171.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.676 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 66.4 ttt180 -106.48 100.14 9.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.873 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.527 ' HD1' HD11 ' A' ' 72' ' ' LEU . 57.1 m-85 -88.51 109.6 20.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.145 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 64.0 mt -106.81 115.01 47.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.442 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 56.5 mt -98.36 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.57 -43.54 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.957 -176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.9 p -143.96 159.97 41.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.127 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -140.16 170.37 15.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.871 177.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -74.33 -20.29 60.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.461 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.59 174.23 10.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -79.71 -16.76 55.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.005 0.431 . . . . 0.0 110.036 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -117.03 122.32 43.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.001 0.429 . . . . 0.0 110.367 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -117.24 171.15 8.15 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.737 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 39.4 t -145.25 127.9 16.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.392 . . . . 0.0 111.019 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.665 HG12 ' HE3' ' A' ' 39' ' ' TRP . 13.5 p -120.23 127.64 75.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 171.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 19.2 t60 -97.02 -41.55 8.32 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.885 -176.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.8 t -164.09 129.01 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.849 0.357 . . . . 0.0 110.654 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 64' ' ' ILE . 10.2 m -109.76 90.69 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 169.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.4 m -90.75 137.9 32.0 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.642 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.643 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.22 108.93 20.71 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.43 ' OE2' ' HG2' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -97.76 121.48 39.72 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.094 0.473 . . . . 0.0 110.016 -176.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -179.56 -126.22 1.01 Allowed Glycine 0 N--CA 1.438 -1.212 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.382 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 2' ' ' ARG . 16.7 p -146.41 145.88 30.41 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.5 m -76.96 105.35 5.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.271 0.557 . . . . 0.0 109.965 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.47 -34.27 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.539 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.715 ' HB2' ' HB2' ' A' ' 56' ' ' HIS . 45.5 m -155.52 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.792 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 90.9 m-20 -78.78 -164.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 55' ' ' LYS . 4.5 mm? -66.76 -36.58 82.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.129 0.49 . . . . 0.0 110.301 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.5 m -154.09 -49.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.443 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.599 -0.715 . . . . 0.0 110.188 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 42.2 ttm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 1' ' ' MET . 42.9 ttm105 68.79 124.56 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -168.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 64.1 tttp 63.0 35.54 13.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 122.58 1.181 . . . . 0.0 107.892 -168.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.6 tt -95.29 138.22 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.124 -177.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -71.09 111.81 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.022 0.439 . . . . 0.0 109.824 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.727 HD13 ' HB ' ' A' ' 57' ' ' VAL . 13.5 mt -98.83 0.89 45.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.151 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.1 m -94.05 -3.98 50.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.78 0.324 . . . . 0.0 111.563 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 140.68 58.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.995 0.426 . . . . 0.0 111.062 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -66.24 -19.07 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -78.76 -19.17 52.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.259 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -82.68 -10.58 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.357 175.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.94 3.49 42.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.323 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 m -83.78 138.83 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.975 0.417 . . . . 0.0 111.207 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -126.45 179.41 5.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.134 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.47 149.73 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.77 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.486 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.6 tt -141.12 156.17 21.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.653 -176.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.9 tt 73.2 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.734 0.813 . . . . 0.0 110.364 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 55.45 92.99 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.584 0.552 . . . . 0.0 112.149 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -61.05 -53.37 58.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.67 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -84.79 81.21 8.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.949 0.404 . . . . 0.0 110.141 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -102.94 120.15 40.11 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -97.77 141.84 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -94.29 -5.81 45.87 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.843 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.17 -31.85 11.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.319 0.58 . . . . 0.0 109.469 176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -120.86 86.35 41.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 Cg_exo -73.61 156.02 49.54 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.003 2.468 . . . . 0.0 112.969 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 48.8 Cg_exo -59.11 -13.96 21.59 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.784 2.99 . . . . 0.0 113.676 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.58 -20.89 61.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.135 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.571 ' OD1' ' HB ' ' A' ' 37' ' ' THR . 0.9 OUTLIER -78.94 1.66 22.92 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.333 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.95 -30.83 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.236 0.541 . . . . 0.0 110.07 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.796 HG13 ' H ' ' A' ' 32' ' ' ASP . 5.6 pt -118.9 -86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.98 -179.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.796 ' H ' HG13 ' A' ' 31' ' ' ILE . 22.8 t70 68.7 -51.16 0.57 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.747 0.819 . . . . 0.0 112.884 175.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.62 -0.52 32.38 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -174.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.3 t-20 -143.46 113.84 5.62 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 7.3 Cg_exo -74.59 19.19 0.47 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.051 2.501 . . . . 0.0 114.148 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -71.87 -46.05 59.24 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 122.001 -0.437 . . . . 0.0 109.99 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.571 ' HB ' ' OD1' ' A' ' 29' ' ' ASN . 23.6 p -91.47 153.31 19.9 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -154.05 154.18 33.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.185 0.516 . . . . 0.0 111.661 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -95.65 125.53 40.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.466 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -114.03 159.21 20.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.097 0.475 . . . . 0.0 110.753 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.521 ' HB ' ' H ' ' A' ' 126' ' ' ALA . 15.9 m -94.61 123.95 38.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.913 -176.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 27.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.678 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 124' ' ' HIS . . . 88.06 -11.78 66.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.999 -0.62 . . . . 0.0 113.414 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.0 ttt -86.46 103.87 15.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.976 0.417 . . . . 0.0 111.763 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.44 150.89 40.06 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.604 171.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.877 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 4.4 Cg_exo -78.22 161.07 91.11 Favored 'Cis proline' 0 C--N 1.343 0.262 0 C-N-CA 123.716 -1.368 . . . . 0.0 112.234 -1.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 4.3 pt20 -118.95 126.85 52.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.602 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.498 ' HG2' HG23 ' A' ' 117' ' ' ILE . 28.8 mt-10 -118.71 133.46 55.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.636 -177.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -145.81 142.78 29.18 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 171.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.486 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.2 mt -114.71 135.28 55.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.026 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.3 mt -105.88 126.63 61.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 41.7 t -102.15 114.17 28.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.119 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.437 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.6 m-85 -78.49 -16.6 57.33 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.087 -178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 12.8 m-70 69.35 -5.62 1.09 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.01 0.524 . . . . 0.0 111.669 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -151.62 166.91 29.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.312 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -82.65 124.13 29.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.727 ' HB ' HD13 ' A' ' 6' ' ' LEU . 19.1 m -130.45 141.66 45.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.063 0.459 . . . . 0.0 111.459 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.2 ttm180 -89.42 114.78 26.29 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 171.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -98.2 126.31 51.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 23.7 tt0 -107.68 -36.87 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 87.5 mtt180 -137.89 142.55 40.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.077 0.465 . . . . 0.0 111.015 178.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.9 mp -110.03 111.76 23.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.855 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 53.0 t -91.0 98.72 8.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 62' ' ' LEU . 11.1 mm -102.21 112.59 35.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.05 -174.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -107.56 102.22 11.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.095 0.474 . . . . 0.0 109.993 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.7 t -151.11 176.58 11.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.533 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.573 ' HD2' ' HG ' ' A' ' 100' ' ' LEU . 0.9 OUTLIER -141.26 153.96 45.5 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 123' ' ' ASP . 45.6 m-85 77.14 -25.9 0.19 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.689 0.796 . . . . 0.0 112.632 172.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 HG23 ' A' ' 118' ' ' ILE . 48.5 t -53.84 146.04 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.95 0.5 . . . . 0.0 111.793 -178.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -120.23 -63.65 1.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.037 0.446 . . . . 0.0 110.482 175.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -108.88 115.73 30.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.731 HD11 ' HD2' ' A' ' 116' ' ' PHE . 19.8 tp -116.25 108.47 16.16 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.351 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.773 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 35.0 tttp -89.79 124.43 34.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.553 -176.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 HG13 ' A' ' 89' ' ' ILE . 20.3 mt -122.18 108.76 22.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.381 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.722 ' HG3' ' HA ' ' A' ' 87' ' ' GLN . 2.6 mp0 -102.26 150.5 23.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.418 173.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.9 ptpp? -107.06 141.17 38.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.711 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 52.9 m -135.1 127.3 30.05 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 36.6 p -105.53 -3.68 22.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.901 0.381 . . . . 0.0 111.271 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.5 m -76.96 163.56 26.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -84.4 -16.49 42.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -78.96 149.86 74.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.25 174.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -78.14 38.01 0.66 Allowed 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.66 2.24 . . . . 0.0 112.29 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 26.4 m -136.69 -173.95 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.9 t0 64.15 80.45 0.23 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.128 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 83' ' ' VAL . 96.9 m-85 -106.71 100.56 10.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.22 -174.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -88.86 111.6 22.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.732 178.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.722 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 10.3 tt0 -50.72 114.36 1.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.466 -175.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -92.96 -72.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.382 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.583 HG13 HD12 ' A' ' 74' ' ' ILE . 1.8 pt -141.8 114.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.434 0.635 . . . . 0.0 111.917 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -78.96 96.07 5.64 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 169.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HG2' HD13 ' A' ' 105' ' ' ILE . 28.6 tptp -100.16 143.01 30.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.235 0.541 . . . . 0.0 111.43 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -99.05 141.23 32.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.537 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.507 HD13 ' HB ' ' A' ' 69' ' ' VAL . 6.5 tt -126.23 146.22 50.08 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 93' ' ' LEU . 44.3 t -119.15 142.04 36.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.618 -174.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -71.58 92.0 1.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.745 HG21 HE21 ' A' ' 99' ' ' GLN . 4.3 p -78.56 131.54 36.81 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.34 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -83.46 127.92 34.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.418 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 62.98 17.73 59.06 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.619 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.745 HE21 HG21 ' A' ' 96' ' ' THR . 22.9 tt0 -140.59 127.96 21.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.859 0.362 . . . . 0.0 110.72 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.573 ' HG ' ' HD2' ' A' ' 67' ' ' TYR . 2.8 tt -89.52 115.97 27.33 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 171.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -73.14 89.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.213 0.53 . . . . 0.0 111.591 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -88.93 95.3 10.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 168.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -110.46 122.91 48.88 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.22 -175.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -82.93 102.02 11.42 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 80.4 mt -79.66 106.47 10.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.17 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -76.3 91.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.508 0.67 . . . . 0.0 110.345 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.08 120.54 26.1 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.64 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -98.98 113.71 26.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.907 0.384 . . . . 0.0 110.718 -175.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.89 -176.28 36.43 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.101 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -131.59 137.97 48.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.76 165.33 34.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.299 0.571 . . . . 0.0 111.847 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.6 m -121.25 -33.46 3.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.719 174.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.711 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 40.6 m-85 -129.89 146.9 51.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.389 173.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.437 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 52.0 mt -129.98 130.04 44.52 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 117' ' ' ILE . 7.8 ttm180 -106.42 115.38 30.11 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.731 ' HD2' HD11 ' A' ' 72' ' ' LEU . 75.3 m-85 -98.35 113.57 25.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.151 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.773 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.1 mt -110.94 101.03 11.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.106 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.618 HG23 HG13 ' A' ' 69' ' ' VAL . 59.6 mt -82.58 97.17 4.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 174.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.877 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.0 t -72.17 -57.4 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.053 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -134.83 156.34 49.06 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.054 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.05 161.15 38.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -71.16 -18.51 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.27 0.557 . . . . 0.0 110.159 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 68' ' ' PHE . 4.4 m-20 -124.24 168.66 12.65 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.786 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.53 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 64.8 t60 -91.08 10.4 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 0.0 110.969 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -149.91 155.39 39.92 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.521 ' H ' ' HB ' ' A' ' 41' ' ' THR . . . -149.08 158.6 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -176.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.2 t -143.15 131.49 22.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.332 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -101.51 138.15 26.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.3 -23.69 8.79 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.828 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.2 p -171.11 142.1 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.994 0.426 . . . . 0.0 110.834 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.9 m -128.01 128.94 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.855 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 59.7 m -128.0 148.56 50.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.099 -176.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -125.55 102.53 7.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 94.6 mt-10 -94.54 118.9 32.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.238 0.542 . . . . 0.0 111.23 -175.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -170.3 -127.19 0.92 Allowed Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.3 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.429 ' OG1' ' HD2' ' A' ' 58' ' ' ARG . 12.0 p -140.68 141.33 35.0 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.726 0.298 . . . . 0.0 110.207 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.8 p -83.5 127.75 39.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.039 0.447 . . . . 0.0 110.665 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.25 -56.56 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.305 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 59.6 p -99.63 111.94 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.404 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -76.93 88.87 3.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 110.916 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 59.9 tp -87.74 91.68 8.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.096 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.7 t -124.91 9.75 8.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.594 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.182 -177.309 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.607 0.242 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -128.14 176.97 7.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp 62.57 51.95 3.05 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.6 tt -95.3 140.04 17.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.336 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.37 91.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.0 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 24.2 mt -82.12 5.08 20.75 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -170.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.5 m -94.48 -3.26 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.4 150.89 31.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.012 0.434 . . . . 0.0 111.838 -174.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -67.54 -22.02 65.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.751 174.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -64.29 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.606 174.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 18.7 mm-40 -84.9 2.03 44.54 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.129 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 8.05 84.01 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.1 m -78.07 146.11 35.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.075 0.464 . . . . 0.0 110.181 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 31' ' ' ILE . 42.0 tt0 -146.19 142.4 28.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.252 -171.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -86.96 135.92 24.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.144 0.497 . . . . 0.0 110.619 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 ' HB ' ' A' ' 50' ' ' ILE . 13.1 tt -137.56 139.62 43.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.281 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 tt 61.99 84.4 0.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.353 0.597 . . . . 0.0 110.331 -177.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.93 121.28 42.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -54.47 -52.5 61.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.536 -175.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -132.26 118.91 20.1 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.543 176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.9 t -117.91 118.25 31.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.008 0.433 . . . . 0.0 110.186 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.58 153.22 26.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.207 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.25 -16.31 56.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.868 0.366 . . . . 0.0 111.329 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -101.45 -15.05 17.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.43 0.634 . . . . 0.0 109.518 177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -133.88 74.12 69.85 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.385 -0.825 . . . . 0.0 108.987 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 1.1 Cg_endo -83.71 135.5 6.86 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.046 2.498 . . . . 0.0 113.155 -172.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 20.2 Cg_exo -66.77 -12.35 35.61 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.228 2.619 . . . . 0.0 111.705 177.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.49 -26.76 68.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.995 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.544 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 16.7 t-20 -64.88 -25.73 68.02 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.458 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.25 -42.26 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.469 -177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.571 HD13 ' HA ' ' A' ' 14' ' ' GLU . 36.6 pt -91.72 -1.33 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.491 0.662 . . . . 0.0 110.401 178.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 29.6 t70 -87.46 -48.55 7.86 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.986 -176.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.54 66.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.991 171.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -89.28 118.11 68.83 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 117.678 0.739 . . . . 0.0 110.385 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -70.18 2.95 3.28 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.999 2.466 . . . . 0.0 112.717 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -66.54 -23.65 66.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -132.68 166.59 21.83 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.324 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -153.07 151.19 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.4 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.5 t90 -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.015 0.436 . . . . 0.0 110.554 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.6 p -112.98 140.36 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.442 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.691 HG21 ' HG2' ' A' ' 47' ' ' GLN . 80.4 p -78.17 116.35 18.56 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 45.8 1.04 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -171.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.51 33.77 46.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.31 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.7 tpt -113.31 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.588 0.232 . . . . 0.0 110.541 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -106.95 136.43 19.45 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.514 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.62 173.51 39.85 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.2 -1.583 . . . . 0.0 111.979 -2.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.705 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 0.7 OUTLIER -107.5 150.31 26.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -176.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -164.37 119.67 1.49 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.144 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 44.2 p90 -134.83 145.71 48.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.226 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.5 mt -114.57 128.63 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 -175.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.4 mt -110.49 113.59 44.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 17.9 p -98.88 137.75 36.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.492 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' C ' ' H ' ' A' ' 55' ' ' LYS . 79.9 m-85 -83.35 -14.03 53.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 4.3 m-70 70.76 -17.18 0.3 Allowed 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.836 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 53' ' ' PHE . 25.8 pttm -136.77 161.98 34.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 139' ' ' SER . 22.0 t-80 -82.74 105.71 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.36 169.1 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.536 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -119.4 120.7 37.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.628 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 91.6 mt -89.64 135.32 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.791 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -101.65 -35.73 9.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.787 0.327 . . . . 0.0 110.139 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -161.73 159.96 27.88 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.143 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -110.17 134.1 52.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.995 177.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.1 t -111.49 106.85 21.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG23 HG12 ' A' ' 131' ' ' VAL . 26.5 mt -115.82 142.17 30.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.263 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -126.77 102.11 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -135.13 154.78 51.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.664 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 0.2 OUTLIER -129.32 140.44 51.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.921 0.391 . . . . 0.0 111.195 178.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 68.64 30.26 5.09 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.518 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.647 ' HB ' HD22 ' A' ' 93' ' ' LEU . 63.9 t -100.43 135.21 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 76.8 mt-30 -95.49 -85.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.009 0.433 . . . . 0.0 110.313 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -97.83 115.63 28.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.073 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.72 109.32 15.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.677 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 48.2 tttp -92.0 129.68 37.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.639 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 89' ' ' ILE . 45.0 mt -114.91 108.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.111 0.481 . . . . 0.0 111.238 -176.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.709 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 0.7 OUTLIER -95.79 141.79 28.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.4 175.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.3 ptmm? -118.08 119.02 33.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.001 0.429 . . . . 0.0 110.296 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 1.027 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 71.1 m -101.79 131.63 47.99 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 174.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -107.41 10.79 29.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.301 0.572 . . . . 0.0 110.738 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.2 p -92.5 163.01 13.98 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.105 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.521 ' HB2' ' HE3' ' A' ' 80' ' ' LYS . 30.9 mtmt -69.28 -30.3 68.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.525 0.679 . . . . 0.0 109.637 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 83' ' ' VAL . 33.6 mt-10 -93.06 154.26 41.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.265 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -77.7 45.7 1.84 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.019 2.479 . . . . 0.0 112.057 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 81' ' ' GLU . 27.3 m -122.13 -162.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.08 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 83' ' ' VAL . 16.2 t70 73.68 -74.78 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.784 0.677 . . . . 0.0 111.528 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.709 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 56.4 m-85 59.58 90.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.595 0.559 . . . . 0.0 111.583 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.559 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -82.24 125.27 30.75 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.25 107.74 1.13 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.526 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 9.4 t90 -102.3 -79.09 0.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -173.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.521 HG13 HD12 ' A' ' 74' ' ' ILE . 2.5 pt -140.27 143.68 29.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.0 110.894 -175.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.469 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 56.1 mt-10 -124.82 119.61 29.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -115.43 140.16 49.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.072 0.463 . . . . 0.0 111.138 -174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 7.5 p-10 -110.6 119.91 40.7 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.053 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.647 HD22 ' HB ' ' A' ' 69' ' ' VAL . 7.6 mp -86.97 171.83 10.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.135 -173.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.14 154.07 9.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.883 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.5 100.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.432 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -90.36 117.74 29.31 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.491 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -102.08 100.9 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.352 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 56.84 38.81 86.0 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.377 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -137.12 141.2 42.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.51 0.195 . . . . 0.0 110.799 -173.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.17 97.17 9.7 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -88.01 148.8 24.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 102' ' ' ASN . 0.9 OUTLIER -109.52 117.34 33.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.598 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.03 93.33 8.7 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -87.73 84.84 7.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.452 0.644 . . . . 0.0 109.5 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 82.7 mt -86.33 107.22 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.978 -174.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.9 t -76.86 95.31 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.31 0.576 . . . . 0.0 109.814 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.95 103.2 3.73 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.626 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.628 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.5 p80 -105.0 116.98 32.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.446 0.641 . . . . 0.0 111.734 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 161.86 35.68 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.961 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.8 m -91.51 141.66 28.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 117.086 0.443 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -158.06 159.09 35.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.6 p -115.68 -26.59 7.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.528 175.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 1.027 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 34.2 m-85 -130.43 133.32 46.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.177 177.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.8 120.89 41.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 68.9 ttt180 -106.49 110.79 23.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.228 -177.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -97.63 106.62 18.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 65.3 mt -101.4 106.91 20.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.534 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.705 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 31.8 mt -89.14 101.23 11.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 35.2 t -76.64 -34.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -175.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -152.0 156.7 40.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.913 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.82 157.07 47.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.009 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -71.05 -28.12 64.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 110.204 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.36 -172.3 2.08 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -91.51 1.35 57.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.286 0.565 . . . . 0.0 110.426 -177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -143.83 129.34 19.06 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.929 175.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -100.39 127.63 46.67 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.531 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 19.4 m -122.31 113.92 20.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.982 0.42 . . . . 0.0 110.836 -178.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.4 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.2 p -87.62 135.2 25.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -104.29 -49.12 3.66 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.944 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 m -143.84 135.58 26.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.554 HG12 HG23 ' A' ' 64' ' ' ILE . 25.8 m -133.47 137.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.5 m -147.74 132.9 18.33 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.01 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.4 110.24 22.51 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -94.3 112.81 24.63 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.183 0.516 . . . . 0.0 110.166 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -158.52 -136.64 2.1 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.308 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.6 p -139.31 146.39 40.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.0 m -79.1 137.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 41.3 t -116.21 -69.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.93 0.395 . . . . 0.0 110.649 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.697 ' HB2' ' HB3' ' A' ' 56' ' ' HIS . 1.6 m -105.97 97.0 6.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.147 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.64 131.65 44.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.043 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 141' ' ' LEU . 2.4 pt? -121.63 -6.7 9.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 p -87.79 -0.41 56.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.741 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.455 -179.811 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 89.3 mtt180 -93.98 147.53 23.03 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 2' ' ' ARG . 20.6 tptt 69.64 106.75 0.06 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.947 0.879 . . . . 0.0 109.454 -166.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 tt -150.33 145.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 114.77 -1.104 . . . . 0.0 108.454 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.73 91.38 4.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.529 0.68 . . . . 0.0 110.086 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.2 mt -73.87 -16.23 61.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.016 -0.993 . . . . 0.0 113.044 -170.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 94.4 m -86.38 -3.67 59.04 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.83 145.73 53.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 t -67.34 -20.4 65.58 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.25 -19.99 65.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.097 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -96.22 -0.15 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.845 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.79 13.25 65.08 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.548 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 m -94.51 138.01 32.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.564 ' HA ' HD13 ' A' ' 31' ' ' ILE . 36.9 mt-10 -133.64 167.12 21.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.217 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.463 HG12 HG12 ' A' ' 51' ' ' ILE . 18.7 m -102.55 155.69 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.754 0.312 . . . . 0.0 110.428 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.845 HG12 HD12 ' A' ' 17' ' ' LEU . 13.9 tt -144.23 155.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.845 HD12 HG12 ' A' ' 16' ' ' ILE . 8.4 mp 69.33 -94.7 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.465 0.706 . . . . 0.0 110.941 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.98 116.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.867 0.729 . . . . 0.0 111.828 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.7 p -80.33 18.66 0.86 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.724 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 39' ' ' TRP . 32.3 t -164.49 133.71 3.71 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.86 0.362 . . . . 0.0 110.389 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.3 m -153.09 113.46 4.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.01 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.15 148.76 21.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.5 -29.45 70.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.745 0.307 . . . . 0.0 111.391 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 25.7 mtpp -105.19 -30.32 9.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.596 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -115.21 81.12 7.82 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.005 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 24' ' ' LYS . 52.6 Cg_endo -93.14 166.87 2.44 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.124 2.549 . . . . 0.0 112.434 -175.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.38 -9.82 11.8 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.128 2.552 . . . . 0.0 113.265 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.93 -36.93 60.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.933 0.397 . . . . 0.0 110.641 174.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -80.06 2.01 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.034 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.7 mt -79.48 -34.37 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 173.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.619 HG13 ' H ' ' A' ' 32' ' ' ASP . 11.4 pt -109.25 -104.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.897 175.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.619 ' H ' HG13 ' A' ' 31' ' ' ILE . 47.2 t0 69.09 -53.85 0.58 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.503 0.721 . . . . 0.0 112.18 173.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 15.48 13.3 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -172.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 75.3 m-20 -126.89 112.56 22.13 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.466 -0.367 . . . . 0.0 110.773 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 2.7 Cg_endo -82.74 19.71 1.26 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.685 2.923 . . . . 0.0 112.382 178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.77 -60.48 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 110.984 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.813 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.4 m -91.46 -169.39 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.34 -170.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.813 ' H ' HG22 ' A' ' 37' ' ' THR . 43.0 p90 -153.49 157.86 40.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -175.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.673 ' HE3' HG12 ' A' ' 128' ' ' VAL . 66.8 t90 -110.53 137.54 48.08 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -121.99 148.43 44.82 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.016 0.436 . . . . 0.0 110.391 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.653 HG21 ' HB3' ' A' ' 47' ' ' GLN . 3.0 m -91.97 159.58 15.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.773 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 p -76.75 1.75 16.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.86 12.63 68.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.784 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 70.1 mtm -92.27 101.61 14.1 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.649 -0.324 . . . . 0.0 110.571 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 120' ' ' SER . 86.7 m-85 -78.67 141.5 60.23 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -78.62 151.17 88.53 Favored 'Cis proline' 0 C--N 1.344 0.322 0 C-N-CA 123.579 -1.425 . . . . 0.0 111.887 -3.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.653 ' HB3' HG21 ' A' ' 41' ' ' THR . 33.7 mt-30 -106.91 115.6 30.47 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.89 152.7 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.487 0.661 . . . . 0.0 112.608 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -157.15 155.01 30.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.015 173.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.775 HG12 ' HG3' ' A' ' 115' ' ' ARG . 49.3 mt -120.49 141.71 39.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.463 HG12 HG12 ' A' ' 15' ' ' VAL . 46.8 mt -113.56 126.72 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.446 ' HB3' ' CE2' ' A' ' 113' ' ' TYR . 9.3 p -107.59 122.71 47.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 98.1 m-85 -81.06 -18.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.713 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 67.0 9.04 6.59 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.995 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HG3' HG13 ' A' ' 57' ' ' VAL . 48.6 pttt -158.89 157.42 31.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.996 -176.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -85.52 105.64 16.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.512 HG13 ' HG3' ' A' ' 55' ' ' LYS . 17.9 m -112.55 162.66 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.109 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 38.7 ttm180 -105.5 112.75 25.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.768 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.408 HG21 ' HH2' ' A' ' 88' ' ' TRP . 87.3 mt -93.76 126.8 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.755 0.312 . . . . 0.0 110.924 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -107.88 -28.86 9.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.823 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.643 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 50.4 mtm180 -149.85 150.87 32.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.712 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.469 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.0 mp -120.36 107.57 13.09 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 132' ' ' SER . 61.8 t -90.72 101.07 12.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mt -111.84 132.78 59.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.34 0.59 . . . . 0.0 111.335 -173.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.449 ' NE2' ' HB2' ' A' ' 130' ' ' SER . 51.5 mt-30 -113.98 102.29 10.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.037 172.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -144.29 155.1 43.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.923 0.392 . . . . 0.0 111.344 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -116.03 152.33 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.964 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 45.4 m-85 75.99 -31.46 0.2 Allowed 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.09 0.869 . . . . 0.0 113.198 169.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.452 HG13 HG23 ' A' ' 118' ' ' ILE . 58.7 t -53.09 135.72 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 122.685 0.394 . . . . 0.0 112.006 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 52.9 tt0 -115.91 -78.25 0.58 Allowed 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.21 175.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -90.45 101.31 14.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.365 0.602 . . . . 0.0 111.237 -177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.6 tp -108.68 110.15 21.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.468 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HE2' ' OE1' ' A' ' 87' ' ' GLN . 12.3 tttt -96.37 115.84 28.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.722 HD12 HG13 ' A' ' 89' ' ' ILE . 22.6 mt -96.85 111.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.441 . . . . 0.0 110.876 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.746 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 1.4 tp10 -95.94 150.74 20.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.771 ' HG3' ' HB2' ' A' ' 86' ' ' GLU . 13.2 ptmm? -127.13 140.16 52.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.086 0.47 . . . . 0.0 110.754 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.786 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 63.1 m -127.17 137.0 52.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.97 177.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 p -114.96 15.29 17.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.414 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.9 t -94.12 178.7 5.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.445 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -80.62 -20.92 42.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.652 0.739 . . . . 0.0 109.557 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.691 ' HB2' HG22 ' A' ' 83' ' ' VAL . 37.7 mt-10 -107.62 160.85 25.16 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.648 179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.24 35.54 0.39 Allowed 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.068 2.512 . . . . 0.0 112.144 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.691 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.3 m -122.42 -179.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.349 -177.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.6 t0 61.14 93.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.034 0.834 . . . . 0.0 109.843 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 47.8 m-85 -98.13 118.04 33.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.774 -168.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.771 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 30.1 mt-10 -97.0 126.16 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.435 ' OE1' ' HE2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.49 119.14 19.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.558 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.408 ' HH2' HG21 ' A' ' 59' ' ' ILE . 6.6 t90 -102.94 -83.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.865 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.722 HG13 HD12 ' A' ' 74' ' ' ILE . 8.8 pt -145.85 133.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.327 . . . . 0.0 111.624 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.5 133.8 52.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -131.11 144.91 51.75 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.049 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.3 p-10 -98.85 108.05 20.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.774 0.797 . . . . 0.0 108.957 171.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 tt -80.4 117.8 21.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.818 -174.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.4 t -81.26 109.54 15.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -65.94 125.52 25.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.19 0.519 . . . . 0.0 111.178 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 16.6 p -81.01 117.81 21.94 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.964 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.7 116.26 16.23 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-O 120.863 0.364 . . . . 0.0 110.334 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.01 -22.88 8.62 Favored Glycine 0 N--CA 1.429 -1.768 0 C-N-CA 119.986 -1.102 . . . . 0.0 112.965 174.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.547 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 48.3 mt-30 -100.23 139.47 35.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.821 0.343 . . . . 0.0 111.479 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -100.86 117.82 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -119.04 155.86 30.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.907 0.384 . . . . 0.0 110.968 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -107.83 104.99 14.6 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 171.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -92.33 120.17 32.6 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.626 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -92.8 103.14 15.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.96 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 68.4 mt -79.94 102.47 5.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 176.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -75.12 110.91 10.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.887 0.375 . . . . 0.0 110.332 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.0 136.15 11.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.375 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -98.98 122.4 42.19 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.09 150.5 17.37 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.871 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.6 m -111.78 129.9 55.98 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.5 156.77 38.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.158 0.504 . . . . 0.0 111.57 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 p -105.71 -24.74 12.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.128 171.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.786 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 66.0 m-85 -129.87 135.24 48.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.108 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 64.9 mt -114.75 121.4 43.19 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.775 ' HG3' HG12 ' A' ' 50' ' ' ILE . 31.0 ttt-85 -106.75 100.29 9.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.329 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.84 109.56 18.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.5 mt -107.1 100.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.452 HG23 HG13 ' A' ' 69' ' ' VAL . 49.1 mt -83.78 101.45 8.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.3 -48.12 43.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.765 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 44.5 m -150.28 167.5 26.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -148.24 168.61 22.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.497 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -75.62 -18.27 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.466 0.65 . . . . 0.0 109.721 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -118.36 -174.72 2.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -105.79 -17.19 14.45 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.48 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -111.85 126.96 55.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.679 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.48 127.83 53.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.9 t -127.73 127.44 43.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.673 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.1 p -101.97 137.72 28.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.192 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.56 -49.94 5.42 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.449 ' HB2' ' NE2' ' A' ' 65' ' ' GLN . 19.9 m -160.04 145.33 15.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.9 m -125.13 149.67 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.651 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 30.6 t -150.77 152.1 33.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.285 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -126.59 125.09 41.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 41.0 mt-10 -99.97 133.16 44.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.049 0.452 . . . . 0.0 110.446 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.33 -145.7 10.05 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 2' ' ' ARG . 33.5 p -138.57 152.74 48.44 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.03 0.443 . . . . 0.0 110.988 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.3 t -81.57 118.92 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.969 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.2 t -86.9 -52.4 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.89 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 81.1 p -106.72 122.37 46.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.084 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -98.56 108.8 21.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.78 98.83 7.96 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.365 0.603 . . . . 0.0 111.069 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 54.8 m -154.73 -47.48 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.91 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.978 173.47 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 136' ' ' THR . 29.2 ptt180 -81.87 148.34 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp 62.51 47.74 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.398 0.618 . . . . 0.0 109.971 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.0 tt -95.16 142.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.908 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.38 91.43 2.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 57' ' ' VAL . 20.0 mt -82.63 10.75 6.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.661 -172.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 34.6 t -94.53 -3.57 49.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.693 0.282 . . . . 0.0 111.686 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 74.0 mt -87.18 149.9 24.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.281 0.562 . . . . 0.0 112.181 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.537 ' HB3' HD12 ' A' ' 31' ' ' ILE . 8.5 p -67.51 -24.3 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.7 m -69.21 -18.05 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.51 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 59.3 mm-40 -89.8 -8.28 52.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.006 176.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.67 5.92 61.15 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.169 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -72.55 139.3 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.199 0.523 . . . . 0.0 110.776 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -128.36 128.6 44.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.61 -175.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.92 118.55 33.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.352 0.596 . . . . 0.0 110.087 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.605 HG23 ' HB ' ' A' ' 50' ' ' ILE . 11.2 tt -114.55 147.1 18.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.018 -174.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt 75.76 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.933 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 51.46 90.68 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.722 0.639 . . . . 0.0 111.91 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 p -59.41 -41.6 89.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.157 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -114.87 135.83 53.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.022 0.439 . . . . 0.0 110.732 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.7 m -158.36 157.02 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.021 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 26.4 t70 -119.15 151.07 38.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -64.24 -41.53 96.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.756 -177.436 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 3.0 mptp? -97.83 -3.38 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 0.0 111.05 -177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.5 m80 -134.49 73.32 68.56 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -88.6 145.63 5.79 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.795 2.33 . . . . 0.0 113.106 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.503 ' HA ' HG13 ' A' ' 30' ' ' ILE . 28.0 Cg_endo -65.46 -12.48 35.17 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.549 2.166 . . . . 0.0 111.312 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -60.63 -26.76 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.459 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 6.2 m-20 -93.02 2.04 56.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.776 -178.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.503 HG13 ' HA ' ' A' ' 27' ' ' PRO . 57.3 mt -71.29 -40.39 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 9' ' ' SER . 19.0 pt -78.3 -12.77 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.275 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 18.6 t70 -70.15 -56.27 7.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.19 176.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.17 0.31 65.77 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.867 -0.682 . . . . 0.0 114.103 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -88.76 143.25 31.46 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 117.652 0.726 . . . . 0.0 110.762 178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.03 18.83 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 123.601 2.867 . . . . 0.0 113.543 -175.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -72.45 -55.33 7.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.141 0.496 . . . . 0.0 110.922 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.3 p -131.81 122.8 26.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.786 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -103.34 164.33 11.71 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.627 ' HE3' HG12 ' A' ' 128' ' ' VAL . 90.7 t90 -87.6 129.66 35.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 0.0 110.855 -177.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 t -132.65 149.2 52.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.912 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 126' ' ' ALA . 8.1 t -88.51 161.57 16.91 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.24 0.543 . . . . 0.0 111.371 -174.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.49 -6.7 59.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.014 176.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.49 27.14 7.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.307 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 ttp -110.44 107.32 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.799 0.333 . . . . 0.0 110.733 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -107.19 146.0 32.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.237 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -81.42 155.3 81.61 Favored 'Cis proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.67 -1.388 . . . . 0.0 111.933 -1.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.518 HE21 HD12 ' A' ' 118' ' ' ILE . 12.1 pt20 -121.29 152.29 39.07 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.564 -177.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -156.4 147.9 22.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -145.48 142.67 29.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.633 173.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.605 ' HB ' HG23 ' A' ' 16' ' ' ILE . 54.7 mt -111.12 135.0 51.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.667 0.27 . . . . 0.0 110.328 -176.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.4 mt -112.79 118.71 58.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.989 0.424 . . . . 0.0 110.157 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.0 m -93.2 128.66 39.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.08 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 59' ' ' ILE . 81.7 m-85 -77.1 -26.67 53.59 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.187 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 69.04 1.02 3.01 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.793 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HG3' HG13 ' A' ' 57' ' ' VAL . 51.5 pttt -150.08 -175.65 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.719 0.295 . . . . 0.0 110.975 -176.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -104.04 105.6 15.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.989 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HD22 ' A' ' 6' ' ' LEU . 12.0 m -128.61 169.9 19.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.962 0.41 . . . . 0.0 110.895 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 9.2 ptm85 -130.39 137.84 50.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.242 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 53' ' ' PHE . 79.6 mt -101.08 133.6 43.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -175.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -108.44 -37.53 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.442 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' ' HB2' ' A' ' 104' ' ' GLU . 54.8 ttp180 -151.64 150.93 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.147 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.4 129.98 52.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 51.5 t -91.14 102.25 13.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mm -107.68 111.63 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.312 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -122.64 102.15 7.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.113 0.482 . . . . 0.0 109.818 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.4 p -150.44 -177.4 5.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 100' ' ' LEU . 8.6 m-85 -141.13 157.02 45.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.321 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 76.58 -23.93 0.23 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 167.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.715 HG13 HG23 ' A' ' 118' ' ' ILE . 61.2 t -59.53 135.81 23.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -176.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.525 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 71.8 mt-30 -95.17 -81.39 0.4 Allowed 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.235 0.54 . . . . 0.0 109.6 171.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -98.66 109.73 22.44 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.59 -177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.2 tp -104.44 111.85 24.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.056 0.455 . . . . 0.0 110.184 177.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.796 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 22.2 mtpp -89.69 110.12 21.04 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.548 HD12 HG13 ' A' ' 89' ' ' ILE . 31.5 mt -100.5 99.73 9.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 136.27 36.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.113 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 13.8 ptmm? -106.91 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.472 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.778 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 48.4 t -111.55 144.22 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.48 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 3.8 m -132.47 23.22 4.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.901 0.858 . . . . 0.0 109.002 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.459 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 13.3 m -82.78 -178.24 7.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.121 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -85.58 -29.1 24.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 79' ' ' SER . 1.2 pm0 -99.18 159.81 29.2 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.931 177.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -79.05 32.91 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.0 2.467 . . . . 0.0 113.32 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 27.5 m -135.81 -173.68 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.159 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.31 73.75 0.46 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.633 0.583 . . . . 0.0 110.416 -178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 77' ' ' SER . 0.2 OUTLIER -123.13 161.82 23.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.451 -174.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.35 148.6 27.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.996 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.506 ' NE2' ' HB2' ' A' ' 90' ' ' GLU . 35.5 tp60 -64.23 99.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.58 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 11.1 t90 -87.36 -82.45 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.822 0.344 . . . . 0.0 110.321 -176.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.548 HG13 HD12 ' A' ' 74' ' ' ILE . 8.5 pt -133.28 108.74 12.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.695 0.759 . . . . 0.0 111.137 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.506 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . 27.6 tt0 -89.13 96.74 10.85 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -100.34 114.65 28.33 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.044 -169.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.525 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.3 p-10 -97.05 143.61 27.73 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 171.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 pp -126.1 169.98 12.23 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.754 0.311 . . . . 0.0 110.468 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -109.16 132.7 56.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -69.41 138.98 54.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 10.3 p -117.32 138.47 51.75 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.14 0.495 . . . . 0.0 111.888 -176.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -104.15 118.34 36.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.769 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.63 30.84 63.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.875 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.708 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 41.6 tt0 -152.02 125.17 8.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.723 0.296 . . . . 0.0 110.267 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HA ' ' OH ' ' A' ' 67' ' ' TYR . 0.5 OUTLIER -86.46 123.18 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.15 91.47 7.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 0.0 111.627 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.13 95.01 7.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 170.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -103.04 106.47 17.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 -171.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HB2' ' HD2' ' A' ' 61' ' ' ARG . 9.8 pt-20 -85.81 99.02 11.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.882 0.849 . . . . 0.0 110.026 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.5 mm -80.17 113.14 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.703 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 106' ' ' VAL . 6.1 p -83.25 87.07 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 122.023 0.916 . . . . 0.0 110.046 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -123.0 117.32 25.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.208 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -102.32 107.88 19.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 -176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.13 167.29 39.73 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.3 m -111.18 143.06 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -160.43 153.24 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 111.042 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 78' ' ' THR . 12.5 p -111.92 -27.44 8.44 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.789 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.778 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 96.9 m-85 -131.55 126.38 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.948 178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 54.5 mt -114.78 124.27 51.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.739 0.304 . . . . 0.0 110.519 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.506 ' HG3' HG12 ' A' ' 50' ' ' ILE . 66.7 ttt180 -106.52 105.57 15.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.457 ' HD2' HD11 ' A' ' 72' ' ' LEU . 42.3 m-85 -89.11 106.66 18.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.286 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.796 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 49.5 mt -107.97 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.017 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.715 HG23 HG13 ' A' ' 69' ' ' VAL . 49.6 mt -88.7 96.43 6.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.51 -51.98 23.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.082 -174.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -133.17 154.33 50.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.693 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.95 158.74 43.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.082 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -77.0 -6.94 54.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.064 0.459 . . . . 0.0 110.237 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -135.5 177.3 7.93 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -84.27 -21.81 30.96 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -110.72 122.38 47.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.286 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.421 ' HB3' HE22 ' A' ' 47' ' ' GLN . . . -112.82 108.77 17.88 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.6 p -112.3 133.92 54.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.672 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.627 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.1 p -103.59 133.81 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -97.32 -47.29 5.77 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.241 -176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.8 p -157.35 132.09 8.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 0.0 111.317 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 17.5 m -133.3 146.3 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.472 173.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 44.0 m -150.67 139.71 21.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.231 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.49 112.21 25.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -97.03 115.57 27.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.372 0.606 . . . . 0.0 110.672 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -160.05 -143.67 3.74 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.161 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 2' ' ' ARG . 24.5 p -136.67 145.38 44.71 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.816 0.341 . . . . 0.0 110.658 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.59 99.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.859 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 30.5 t -60.41 -45.94 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.241 0.543 . . . . 0.0 109.706 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.5 p -154.17 133.21 12.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.453 172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -77.48 -100.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.837 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 41.5 tp -168.52 136.37 2.11 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -173.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 p -65.74 95.79 0.26 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.387 0.613 . . . . 0.0 110.898 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.282 -179.253 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.614 0.245 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.726 ' HA ' HG23 ' A' ' 136' ' ' THR . 3.7 ptm180 -93.19 28.51 2.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.581 0.705 . . . . 0.0 110.438 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -152.17 92.58 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.536 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -142.15 141.74 28.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.142 -173.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.41 86.17 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 0.0 109.459 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD13 ' HB ' ' A' ' 57' ' ' VAL . 90.9 mt -71.94 -7.19 47.18 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -170.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 73.7 m -93.82 -4.14 50.69 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 38.7 mt -69.52 148.83 48.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.959 0.409 . . . . 0.0 111.632 -175.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.1 p -69.69 -20.78 63.55 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -71.74 -20.79 61.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 54.2 mm-40 -93.57 10.84 30.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.051 176.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.73 15.9 78.48 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.289 -0.869 . . . . 0.0 113.218 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -85.44 141.86 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.056 0.428 . . . . 0.0 110.118 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -130.35 153.71 48.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.045 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG12 HG12 ' A' ' 51' ' ' ILE . 28.5 m -106.95 145.21 14.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.896 0.379 . . . . 0.0 110.418 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 17' ' ' LEU . 15.8 tt -131.59 156.42 42.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.931 -178.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.723 HD12 HG12 ' A' ' 16' ' ' ILE . 10.1 mp 74.02 -90.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.64 0.776 . . . . 0.0 110.344 -174.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.09 93.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.847 0.717 . . . . 0.0 111.921 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.508 ' HB ' ' NE2' ' A' ' 47' ' ' GLN . 4.3 m -58.29 -20.4 42.46 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB3' HG23 ' A' ' 42' ' ' THR . 45.9 m -124.42 129.71 51.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.414 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -153.26 133.29 13.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.502 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 16.1 t70 -116.63 156.11 27.61 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -80.18 -38.45 31.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.978 0.418 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HD3' ' H ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -82.17 -29.76 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 10.5 m-70 -111.08 83.58 3.89 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.304 174.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.764 ' HD2' HG21 ' A' ' 37' ' ' THR . 89.9 Cg_endo -80.1 147.95 18.97 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.403 2.069 . . . . 0.0 112.713 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.79 5.66 1.27 Allowed 'Trans proline' 0 C--O 1.223 -0.263 0 C-N-CA 123.435 2.757 . . . . 0.0 112.725 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -83.48 -25.64 30.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.05 0.453 . . . . 0.0 110.584 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.44 HD22 ' HB ' ' A' ' 37' ' ' THR . 58.3 m-20 -85.09 -17.5 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 tt -73.03 -31.82 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.433 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 7' ' ' CYS . 1.1 mt -63.47 -40.53 89.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.468 0.651 . . . . 0.0 110.217 -178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' HB3' HD22 ' A' ' 34' ' ' ASN . 0.6 OUTLIER -94.77 -20.8 19.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.137 -174.424 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.25 50.75 6.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.084 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.4 HD22 ' HB3' ' A' ' 32' ' ' ASP . 10.6 m-80 -86.38 119.84 71.78 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 120.536 0.208 . . . . 0.0 110.878 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.63 -20.22 56.8 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.19 2.594 . . . . 0.0 112.85 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.71 -32.53 74.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.603 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.764 HG21 ' HD2' ' A' ' 26' ' ' PRO . 98.2 m -141.42 115.34 9.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.208 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -97.76 142.79 29.1 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -99.9 139.73 35.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 125' ' ' PHE . 14.8 t -147.08 165.59 29.46 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.579 ' OG1' ' HA ' ' A' ' 125' ' ' PHE . 55.5 p -76.46 142.5 40.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.698 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' ' 20' ' ' SER . 11.8 p -82.94 2.24 35.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 0.0 111.364 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.92 -16.51 18.3 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.92 -0.657 . . . . 0.0 113.18 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 68.5 mtm -87.97 105.01 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 111.43 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 93.3 m-85 -106.92 148.85 37.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.163 175.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 17.3 Cg_exo -68.03 155.7 87.7 Favored 'Cis proline' 0 C--N 1.346 0.408 0 C-N-CA 123.889 -1.296 . . . . 0.0 112.886 -0.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.615 ' HB3' ' HB ' ' A' ' 118' ' ' ILE . 48.3 tp60 -107.02 127.76 53.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.194 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -116.11 129.36 56.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -148.27 127.92 13.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.094 0.474 . . . . 0.0 110.018 168.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' A' ' 16' ' ' ILE . 51.6 mt -106.78 127.71 62.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.236 -177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG12 HG12 ' A' ' 15' ' ' VAL . 53.3 mt -105.79 119.83 55.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.0 t -94.46 127.24 40.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.561 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 84.1 m-85 -67.08 -24.53 65.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.547 ' O ' ' HB3' ' A' ' 141' ' ' LEU . 26.7 t-80 64.29 21.96 12.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.421 0.629 . . . . 0.0 109.902 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 20.0 pttm -168.19 176.7 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.666 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 139' ' ' SER . 54.2 m80 -105.07 109.42 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 137' ' ' VAL . 17.5 m -128.32 164.34 30.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.877 0.37 . . . . 0.0 111.519 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -123.5 124.07 42.03 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 75.4 mt -90.12 138.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.109 -172.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -103.08 -49.9 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.972 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 28.6 mtm180 -141.73 157.31 45.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 0.0 110.823 176.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.57 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 84.8 mt -109.99 133.05 53.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.033 174.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.553 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 99.0 t -114.24 105.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 173.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.635 HG23 HG12 ' A' ' 131' ' ' VAL . 10.7 mt -118.07 114.56 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.793 -175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -100.82 102.25 13.27 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.603 ' HB2' HG21 ' A' ' 69' ' ' VAL . 25.5 p -130.89 142.45 50.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.718 0.294 . . . . 0.0 110.964 -176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -110.53 141.88 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.844 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 67.39 -99.64 0.05 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.78 0.675 . . . . 0.0 110.748 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.825 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.5 t 48.95 -151.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 O-C-N 123.575 0.547 . . . . 0.0 109.754 -176.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.825 ' H ' HG12 ' A' ' 69' ' ' VAL . 10.1 tt0 172.68 -73.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.325 0.65 . . . . 0.0 109.397 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -116.39 104.58 11.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.995 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.3 tp -110.36 114.53 28.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 64.8 tttp -94.08 111.37 23.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.589 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.4 mt -93.17 102.75 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -102.85 136.73 42.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.966 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 86' ' ' GLU . 17.2 ptmt -106.65 150.91 25.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.419 -173.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.575 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 35.1 t -143.01 145.16 32.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 173.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.7 p -120.57 19.93 11.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.1 m -90.61 170.45 10.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.449 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -88.94 -24.89 22.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 172.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.677 ' HB2' HG22 ' A' ' 83' ' ' VAL . 1.4 mp0 -91.86 156.03 42.89 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 113.945 -1.479 . . . . 0.0 109.208 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.79 36.89 0.54 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.561 2.174 . . . . 0.0 112.394 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.677 HG22 ' HB2' ' A' ' 81' ' ' GLU . 35.5 m -132.08 170.77 19.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 t70 65.31 100.03 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.587 0.755 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -114.04 162.4 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.197 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 76' ' ' LYS . 34.0 tt0 -141.54 135.79 30.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.026 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.14 134.29 52.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CZ2' ' HB1' ' A' ' 107' ' ' ALA . 7.4 t90 -130.98 -74.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.104 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -139.85 108.66 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 111.68 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE2' ' HG3' ' A' ' 73' ' ' LYS . 7.5 mp0 -97.53 118.41 33.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 170.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -108.67 113.06 25.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.045 0.45 . . . . 0.0 111.227 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.99 104.51 14.48 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 pp -103.4 159.46 15.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.34 0.59 . . . . 0.0 112.246 -170.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.93 137.19 21.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.656 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -61.84 105.46 0.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.324 0.39 . . . . 0.0 111.643 -176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -77.81 125.09 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.642 171.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.32 119.72 39.19 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.611 -173.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.47 27.73 72.83 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.773 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -149.39 135.24 18.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.544 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.6 mt -83.24 100.09 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.309 175.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.576 ' HB2' HG21 ' A' ' 96' ' ' THR . 54.6 tt0 -86.12 108.52 18.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.768 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.48 128.6 34.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.884 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.29 94.96 9.42 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.135 0.493 . . . . 0.0 110.616 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 42.9 mt-10 -88.24 97.04 10.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.027 172.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 66.8 mt -100.62 120.97 50.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.65 -171.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 m -73.03 104.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' HB1' ' CZ2' ' A' ' 88' ' ' TRP . . . -137.86 103.3 4.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.492 -170.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 2.2 m-70 -98.99 110.18 22.83 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.147 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.24 157.24 29.56 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.417 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -107.87 132.9 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -156.04 154.82 31.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.992 0.425 . . . . 0.0 111.216 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.3 p -110.27 -37.26 5.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.987 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 87.7 m-85 -122.4 134.2 54.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.99 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 76' ' ' LYS . 57.6 mt -120.39 124.96 46.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 172.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.16 105.88 16.12 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -83.64 107.4 16.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.473 176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.3 mt -101.12 102.62 13.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.96 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.615 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 39.8 mt -82.04 94.62 2.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 45.2 t -63.92 -43.18 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.764 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 7.7 t -157.34 157.21 33.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.079 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -137.45 159.19 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.069 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -70.62 -21.15 62.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.252 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -130.84 -172.36 2.8 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -84.96 -26.09 27.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.579 ' HA ' ' OG1' ' A' ' 41' ' ' THR . 45.3 p90 -118.78 122.38 42.28 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.47 0.653 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.51 110.77 22.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.126 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.7 m -104.89 120.34 41.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.071 0.462 . . . . 0.0 110.914 -174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.1 p -103.97 128.14 57.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -84.18 -44.88 13.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.328 -173.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.4 p -161.4 148.84 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.177 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.635 HG12 HG23 ' A' ' 64' ' ' ILE . 10.6 m -131.1 134.9 60.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.639 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.553 ' OG ' ' HB ' ' A' ' 63' ' ' VAL . 62.1 p -141.39 137.69 32.46 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.919 0.39 . . . . 0.0 111.364 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.42 102.98 12.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 171.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.536 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 58.0 mt-10 -94.22 125.36 38.81 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.271 0.558 . . . . 0.0 110.654 -173.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -178.78 -126.46 1.01 Allowed Glycine 0 N--CA 1.44 -1.064 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.749 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.726 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -146.53 149.73 34.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.912 0.387 . . . . 0.0 111.927 -178.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 57' ' ' VAL . 29.7 m -88.52 146.15 6.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.839 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.84 -32.74 2.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.648 0.737 . . . . 0.0 109.575 175.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.724 ' HB3' ' HB2' ' A' ' 56' ' ' HIS . 5.3 t -157.31 135.52 11.1 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.503 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -115.25 128.07 55.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.946 0.403 . . . . 0.0 111.205 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.547 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 45.5 tp -104.96 7.45 34.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.719 0.771 . . . . 0.0 109.227 176.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.6 m -97.67 15.76 22.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.046 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.241 -179.43 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 120.776 0.322 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.972 ' HA ' HG22 ' A' ' 136' ' ' THR . 51.9 mtp180 -142.77 -26.58 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.385 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.45 79.13 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.473 0.654 . . . . 0.0 109.489 169.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.6 tt -113.45 141.55 28.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.085 -177.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.441 ' HB3' ' HG ' ' A' ' 8' ' ' LEU . 6.9 m-20 -70.78 95.86 1.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.396 0.617 . . . . 0.0 110.436 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 22.1 mt -75.27 -15.01 60.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.521 -168.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 79.8 m -94.12 -3.35 51.21 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.977 -0.452 . . . . 0.0 112.217 -174.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 5' ' ' ASP . 16.9 mt -77.02 158.99 30.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.5 m -62.38 -29.03 70.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.108 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 p -66.03 -26.28 67.45 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.113 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.83 -0.7 57.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.29 9.21 85.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.19 174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 118.95 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 110.293 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -103.48 153.23 20.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.044 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG12 HG12 ' A' ' 51' ' ' ILE . 34.6 m -92.22 149.47 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.04 0.448 . . . . 0.0 110.56 178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.585 HG23 ' HB ' ' A' ' 50' ' ' ILE . 14.9 tt -139.7 152.78 22.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 -177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tt 73.67 -88.59 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.751 0.821 . . . . 0.0 110.142 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.18 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.716 0.635 . . . . 0.0 111.773 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.41 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.949 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -107.57 109.61 21.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.21 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 p -128.27 103.46 7.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.438 0.637 . . . . 0.0 110.653 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 18.1 t0 -92.48 150.44 20.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.043 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.72 -25.42 56.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.284 0.564 . . . . 0.0 110.045 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -91.82 -17.01 25.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.201 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.415 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 72.0 m80 -138.76 72.44 41.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.436 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 46.9 Cg_endo -70.87 149.33 59.63 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.109 1.873 . . . . 0.0 112.003 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 35.3 Cg_exo -61.81 -13.27 29.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.134 2.556 . . . . 0.0 112.221 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -63.26 -21.93 66.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 176.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.47 HD21 ' HD2' ' A' ' 26' ' ' PRO . 93.5 m-20 -76.13 -12.08 60.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.565 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' A' ' 130' ' ' SER . 56.0 mt -70.13 -23.35 25.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.721 0.772 . . . . 0.0 109.442 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pt -111.93 -106.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.608 172.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 71.93 -51.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.301 0.64 . . . . 0.0 112.58 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.39 -25.83 18.52 Favored Glycine 0 CA--C 1.523 0.551 0 C-N-CA 121.212 -0.518 . . . . 0.0 113.781 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -83.87 142.36 41.94 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 117.541 0.671 . . . . 0.0 111.179 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.652 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 88.1 Cg_endo -85.5 8.2 4.7 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.881 2.387 . . . . 0.0 112.898 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -90.42 -65.11 1.04 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.839 -175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -91.38 145.58 24.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.633 0.254 . . . . 0.0 111.025 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -138.62 177.67 7.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.682 -176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.672 ' HE3' HG12 ' A' ' 128' ' ' VAL . 87.2 t90 -110.51 136.24 49.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.618 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.9 t -137.16 145.31 43.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 44' ' ' MET . 6.2 m -88.66 135.93 33.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.569 -178.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 p -81.62 39.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.31 -0.405 . . . . 0.0 112.042 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 10.99 82.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.728 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.425 ' H ' HG22 ' A' ' 41' ' ' THR . 27.8 ttt -83.92 88.18 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.016 0.436 . . . . 0.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 94.1 m-85 -106.59 133.7 20.14 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.415 177.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 5.8 Cg_endo -86.39 153.18 48.52 Favored 'Cis proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.502 -1.457 . . . . 0.0 112.056 -1.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.506 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 1.6 pm0 -107.02 138.21 43.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.094 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -129.57 129.57 44.59 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.45 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -144.64 145.6 31.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.007 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.585 ' HB ' HG23 ' A' ' 16' ' ' ILE . 52.1 mt -119.67 137.08 54.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.19 -176.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.596 HG12 HG12 ' A' ' 15' ' ' VAL . 57.0 mt -115.65 122.11 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 174.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' HB3' ' CD2' ' A' ' 113' ' ' TYR . 10.1 p -100.03 126.88 46.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.401 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -64.87 -25.35 67.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.47 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.3 t60 69.0 14.03 8.82 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.502 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HD2' ' HA ' ' A' ' 140' ' ' ASN . 51.2 pttt -163.67 -175.33 4.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.116 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -96.32 116.64 29.36 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.713 -175.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 166.6 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 138' ' ' VAL . 98.5 mtt180 -127.48 124.42 38.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.188 171.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 72.7 mt -89.72 140.12 16.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.882 -177.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 108' ' ' HIS . 5.8 tp10 -119.89 -38.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.07 0.462 . . . . 0.0 109.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 27.3 mtp-105 -144.05 170.98 14.91 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.042 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 95.9 mt -130.39 134.08 46.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.833 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -123.02 104.65 14.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.763 HG23 HG12 ' A' ' 131' ' ' VAL . 16.9 mt -119.46 135.98 58.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.92 0.39 . . . . 0.0 111.405 -172.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -115.04 102.88 10.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' HD22 ' A' ' 93' ' ' LEU . 17.8 m -131.84 166.52 21.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.767 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 17.9 m-85 -122.22 140.45 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 174.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 65.7 -99.96 0.07 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.392 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 72' ' ' LEU . 48.6 t 48.34 93.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 O-C-N 123.747 0.654 . . . . 0.0 112.684 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 121' ' ' ALA . 26.2 tt0 -85.25 -47.83 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.257 0.551 . . . . 0.0 110.072 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.533 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 19.3 m -130.27 105.93 8.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.253 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 38.7 tp -109.34 109.71 20.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.405 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 84.5 tttt -89.9 107.97 19.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.557 ' HB ' HG13 ' A' ' 89' ' ' ILE . 57.8 mt -92.52 100.33 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 19.2 tt0 -96.01 136.92 35.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.568 -176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 18.6 ttmt -106.62 135.57 47.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.704 -173.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.747 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 46.4 m -131.37 126.62 35.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 175.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -120.74 18.67 11.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.423 0.63 . . . . 0.0 110.32 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.8 t -83.09 179.4 7.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.221 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.665 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 13.4 ptmm? -76.41 -24.58 54.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.636 0.731 . . . . 0.0 109.831 176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.665 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 42.6 mt-10 -119.23 171.4 5.43 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.642 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -70.22 45.35 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.051 2.5 . . . . 0.0 112.455 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.9 m -126.57 -173.24 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.874 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.41 88.83 0.1 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.507 0.67 . . . . 0.0 109.374 -174.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 40.2 m-85 -109.09 112.23 24.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.703 -170.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.79 141.91 49.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 171.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -77.3 101.26 6.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.615 0.721 . . . . 0.0 109.534 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 10.6 t90 -75.31 -60.8 2.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.128 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.557 HG13 ' HB ' ' A' ' 74' ' ' ILE . 1.5 pt -149.09 103.83 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.193 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 1.0 OUTLIER -83.04 97.08 8.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -100.6 175.03 5.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.739 0.781 . . . . 0.0 112.174 -172.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -140.22 122.46 15.88 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.256 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 66' ' ' SER . 52.3 tp -91.28 106.28 18.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.13 0.491 . . . . 0.0 110.329 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.5 t -81.38 98.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -70.91 121.07 17.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -174.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -71.39 136.95 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.307 175.233 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.64 116.31 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.343 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.67 24.02 70.95 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.37 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.713 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 44.7 tt0 -140.5 146.99 38.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 110.548 -178.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 1.7 tt -84.0 115.39 22.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -87.73 102.68 14.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.844 0.354 . . . . 0.0 110.116 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -68.42 130.37 42.69 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 53.1 tt0 -92.2 93.57 8.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.766 0.793 . . . . 0.0 109.756 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.37 108.93 16.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.469 -1.241 . . . . 0.0 110.181 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 60.9 mt -121.65 135.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.601 -176.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.02 89.39 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 172.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.53 111.59 13.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.875 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.577 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.1 p80 -121.28 114.4 21.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.304 0.573 . . . . 0.0 111.531 -174.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.14 169.1 40.78 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.008 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 m -94.28 129.7 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.175 0.488 . . . . 0.0 110.155 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -151.37 151.61 31.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.722 0.296 . . . . 0.0 110.614 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -108.49 -35.65 6.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.48 0.657 . . . . 0.0 110.049 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.747 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 70.2 m-85 -124.28 137.58 54.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.793 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 31.4 mt -114.47 116.99 29.75 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -106.78 103.74 13.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.396 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -91.71 117.54 29.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.525 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 56.6 mt -116.79 108.14 24.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.8 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.506 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 42.7 mt -89.59 118.16 34.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 58.4 t -81.05 -46.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -176.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.9 t -160.2 164.63 32.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.433 ' HA ' ' H ' ' A' ' 70' ' ' GLN . . . -130.88 178.88 6.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.16 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -85.47 -5.65 59.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.116 0.484 . . . . 0.0 110.415 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -135.62 176.02 9.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.377 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -78.9 -7.51 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.919 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.97 158.17 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.447 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -138.6 135.2 34.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.592 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.4 m -133.67 143.11 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.024 0.44 . . . . 0.0 111.433 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.672 HG12 ' HE3' ' A' ' 39' ' ' TRP . 12.7 p -134.19 137.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.652 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 11.3 t-80 -91.25 -65.03 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.231 179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 44.0 m -149.3 138.56 21.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.763 HG12 HG23 ' A' ' 64' ' ' ILE . 35.8 m -110.74 141.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.086 172.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.607 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 39.4 m -144.29 150.92 38.63 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -128.13 139.03 52.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 45.6 mt-10 -94.18 156.24 16.65 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 150.28 -154.97 25.98 Favored Glycine 0 N--CA 1.442 -0.917 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.634 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.972 HG22 ' HA ' ' A' ' 2' ' ' ARG . 34.2 p -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.668 0.27 . . . . 0.0 110.439 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.44 114.96 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.344 0.593 . . . . 0.0 110.418 175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 43.6 t -72.86 -41.35 60.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.796 0.808 . . . . 0.0 109.514 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 5.2 m -145.81 102.22 3.64 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.026 176.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.581 ' HA ' ' HD2' ' A' ' 55' ' ' LYS . 10.0 t-20 -68.77 -177.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 141' ' ' LEU . 0.3 OUTLIER -70.06 84.2 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.37 0.605 . . . . 0.0 109.931 -179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.9 m -145.82 18.74 1.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.775 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.352 -0.832 . . . . 0.0 109.724 178.562 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.465 0.174 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 56.55 31.88 19.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.237 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 5.5 tt -155.47 137.63 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.104 -175.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 2.0 m-20 -64.95 96.84 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.467 178.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.634 HD13 ' HB ' ' A' ' 57' ' ' VAL . 95.3 mt -80.85 -4.28 54.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -177.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.577 ' O ' HD13 ' A' ' 31' ' ' ILE . 75.6 m -90.47 -3.8 57.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.736 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 5' ' ' ASP . 50.5 mt -58.2 140.41 53.09 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.176 0.512 . . . . 0.0 111.563 -176.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -18.32 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.843 174.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -80.76 -10.03 59.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.047 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -101.77 -1.53 32.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.763 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.22 19.72 48.83 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.95 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -97.04 134.72 40.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.361 . . . . 0.0 110.045 178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -123.29 147.17 47.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.259 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.695 HG12 HG12 ' A' ' 51' ' ' ILE . 7.9 m -95.74 106.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.849 0.833 . . . . 0.0 110.66 175.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.494 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.9 tt -95.77 161.91 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.385 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' N ' HG12 ' A' ' 16' ' ' ILE . 3.8 tp 76.16 -101.34 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.159 0.584 . . . . 0.0 110.924 176.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 59.48 111.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.497 0.719 . . . . 0.0 112.049 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -58.42 -28.55 65.34 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.79 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.406 ' HB3' HG23 ' A' ' 42' ' ' THR . 60.9 m -137.53 81.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.059 0.456 . . . . 0.0 111.52 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -90.44 126.9 36.05 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.708 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 12.1 t70 -92.39 146.92 23.31 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.14 -28.73 16.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -172.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.708 ' HG2' ' OD1' ' A' ' 22' ' ' ASP . 22.1 pttm -89.23 -29.0 19.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.495 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 2.1 t60 -130.36 88.4 47.65 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.544 171.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 35.6 Cg_endo -63.69 156.86 54.91 Favored 'Trans proline' 0 CA--C 1.533 0.447 0 C-N-CA 122.815 2.343 . . . . 0.0 112.561 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.457 ' O ' HG22 ' A' ' 30' ' ' ILE . 17.2 Cg_exo -67.84 5.6 1.02 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.585 2.857 . . . . 0.0 113.478 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.0 -24.9 64.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 29' ' ' ASN . 1.5 m120 -81.0 1.93 29.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG23 HG13 ' A' ' 31' ' ' ILE . 9.3 tt -79.56 -7.96 11.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 109.43 175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 7' ' ' CYS . 23.7 mt -137.93 -96.21 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.618 172.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.2 t70 68.43 -53.65 0.54 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.321 1.048 . . . . 0.0 112.484 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.16 23.04 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -173.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.948 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 4.1 m120 -89.62 128.18 51.65 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.762 0.315 . . . . 0.0 110.764 176.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.605 ' HA ' ' NE2' ' A' ' 129' ' ' HIS . 6.0 Cg_exo -80.19 19.59 1.03 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.952 2.434 . . . . 0.0 112.729 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.948 ' HG2' ' HB3' ' A' ' 34' ' ' ASN . 13.1 mm-40 -65.15 -52.57 54.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.998 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.733 HG22 ' H ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -141.08 -173.06 3.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.934 -179.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.733 ' H ' HG22 ' A' ' 37' ' ' THR . 10.3 p90 -149.21 -178.32 6.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.545 0.212 . . . . 0.0 110.732 -176.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -103.48 131.28 50.73 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 t -116.47 166.03 12.55 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.627 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.45 ' HA ' HE22 ' A' ' 47' ' ' GLN . 67.8 p -89.39 153.84 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.015 -176.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.406 HG23 ' HB3' ' A' ' 20' ' ' SER . 37.6 p -82.66 -29.87 29.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.538 0.685 . . . . 0.0 109.612 174.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.11 -4.36 22.22 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.322 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.61 68.46 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -76.2 152.94 84.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.464 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.798 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 72.0 Cg_endo -79.59 138.27 46.36 Favored 'Cis proline' 0 C--O 1.234 0.278 0 C-N-CA 123.323 -1.532 . . . . 0.0 112.607 -0.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 HE22 ' HA ' ' A' ' 41' ' ' THR . 6.8 mt-30 -108.17 131.55 54.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 10.8 pt-20 -124.33 157.23 35.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.658 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -148.45 145.68 28.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.853 174.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.494 ' HB ' HG23 ' A' ' 16' ' ' ILE . 70.8 mt -114.28 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.393 -174.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.695 HG12 HG12 ' A' ' 15' ' ' VAL . 24.9 mt -93.84 122.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.4 t -102.8 120.98 41.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.2 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 97.0 m-85 -76.74 -24.22 53.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.768 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' O ' ' HA ' ' A' ' 141' ' ' LEU . 84.2 m-70 65.58 6.79 4.0 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.248 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG3' HG13 ' A' ' 57' ' ' VAL . 53.0 pttt -155.49 169.19 24.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -175.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.878 ' HB3' ' HB3' ' A' ' 139' ' ' SER . 10.8 t60 -98.05 105.79 17.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.06 0.457 . . . . 0.0 110.32 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.634 ' HB ' HD13 ' A' ' 6' ' ' LEU . 23.5 m -112.86 154.63 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.999 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 52.2 ttp180 -100.24 111.91 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.8 mt -90.64 125.76 43.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.953 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -123.57 -13.47 7.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.611 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' NH1' ' HB3' ' A' ' 104' ' ' GLU . 5.8 mmt180 -148.8 157.81 43.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.038 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.777 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 7.4 mp -131.43 132.69 44.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.91 102.23 13.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 HG12 ' A' ' 131' ' ' VAL . 20.0 mm -100.71 101.64 12.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.037 -177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -99.66 101.99 13.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.632 179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 p -159.24 166.94 30.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 100' ' ' LEU . 80.4 m-85 -118.88 147.77 43.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.127 174.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 64.27 -137.0 0.29 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.438 0.461 . . . . 0.0 110.431 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.698 ' HB ' HD12 ' A' ' 93' ' ' LEU . 57.7 t 71.58 121.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 121.34 0.59 . . . . 0.0 111.213 -178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -97.45 -72.59 0.64 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 30.2 m -108.12 107.28 17.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.035 0.445 . . . . 0.0 110.965 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD11 ' HD2' ' A' ' 116' ' ' PHE . 55.4 tp -108.09 109.41 20.84 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.277 179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.627 ' HB2' ' HB ' ' A' ' 117' ' ' ILE . 68.7 mttm -89.91 120.57 31.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.898 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.59 HD12 HG13 ' A' ' 89' ' ' ILE . 31.1 mt -106.72 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -96.16 147.94 23.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.893 178.483 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HG2' ' HB2' ' A' ' 88' ' ' TRP . 10.2 ptmm? -123.62 154.68 38.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.023 0.44 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 30.2 t -138.94 143.15 38.49 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.8 p -112.16 14.18 20.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.34 0.59 . . . . 0.0 110.417 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.3 t -87.99 -176.41 5.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.739 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 50.8 mtpt -103.78 -10.15 18.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.254 0.55 . . . . 0.0 110.023 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.479 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 30.4 tt0 -106.6 141.9 23.79 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.757 -178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 16.0 Cg_exo -70.13 44.72 0.46 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.37 2.713 . . . . 0.0 113.477 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.4 m -136.99 173.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.462 0.172 . . . . 0.0 110.631 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 55.6 69.15 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.844 0.715 . . . . 0.0 111.675 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.76 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 96.4 m-85 -94.15 141.15 28.88 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.362 178.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -117.24 130.9 56.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.468 -0.787 . . . . 0.0 108.903 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.576 ' HA ' ' HG3' ' A' ' 75' ' ' GLU . 6.0 tt0 -59.69 123.02 15.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 111.35 -173.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 76' ' ' LYS . 12.0 t90 -94.61 -67.26 0.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.645 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 74' ' ' ILE . 6.1 pt -144.72 137.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.189 178.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -103.22 123.44 46.73 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -119.62 139.81 51.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 0.0 111.176 -170.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -113.26 145.9 40.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 173.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.698 HD12 ' HB ' ' A' ' 69' ' ' VAL . 97.4 mt -117.75 174.35 6.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.641 0.258 . . . . 0.0 110.474 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.1 t -108.9 143.62 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -77.48 99.42 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.074 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.992 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 11.9 p -128.7 126.09 39.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.015 0.436 . . . . 0.0 111.926 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -87.98 117.35 26.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.588 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.82 8.31 67.94 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.683 177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.992 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 15.5 mm100 -112.78 110.93 21.35 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -82.87 106.34 14.63 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -88.39 96.9 10.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -82.4 107.56 15.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 64' ' ' ILE . 14.8 mm-40 -92.09 115.57 28.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.457 -176.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 43.4 mm-40 -86.57 103.42 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.385 173.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.777 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 75.3 mt -103.02 117.43 48.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.865 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -83.99 92.72 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.063 0.935 . . . . 0.0 110.311 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -126.64 118.88 25.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 5.3 p80 -108.1 108.31 19.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -174.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.03 -172.09 32.08 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.852 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.6 m -137.01 137.11 39.06 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -155.1 158.89 39.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.687 0.28 . . . . 0.0 110.836 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.0 p -109.71 -31.07 7.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.232 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.41 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.6 m-85 -127.27 131.01 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.128 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 40.5 mt -115.31 123.45 48.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.954 0.407 . . . . 0.0 110.478 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.464 ' HD2' ' CD2' ' A' ' 85' ' ' PHE . 76.4 ttt180 -106.54 102.45 11.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.965 -177.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.3 m-85 -90.84 110.48 21.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.206 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.627 ' HB ' ' HB2' ' A' ' 73' ' ' LYS . 58.0 mt -107.52 107.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.79 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.518 HG23 HG13 ' A' ' 69' ' ' VAL . 47.8 mt -90.87 99.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.798 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 50.7 t -67.86 -45.93 83.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.203 -175.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.6 t -158.1 175.15 14.16 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.03 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.02 174.62 11.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.09 -15.31 58.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.991 0.424 . . . . 0.0 110.46 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.55 162.14 33.51 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -70.65 -20.18 62.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.551 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.5 122.29 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.94 16.3 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.716 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 t -135.96 126.51 26.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.427 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.56 125.48 59.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.605 ' NE2' ' HA ' ' A' ' 35' ' ' PRO . 20.0 t-80 -85.33 -46.47 10.95 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.412 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.8 m -161.19 134.2 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.936 0.398 . . . . 0.0 110.964 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.528 HG12 HG23 ' A' ' 64' ' ' ILE . 3.1 m -115.57 90.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 169.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.43 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 20.9 m -95.07 153.64 17.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.595 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -116.11 119.81 37.03 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.551 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 61.3 mt-10 -102.83 149.97 23.96 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.316 0.579 . . . . 0.0 111.084 -175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.511 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 156.73 -137.64 5.54 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -176.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 p -145.35 153.99 41.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.182 0.491 . . . . 0.0 110.684 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.57 118.22 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.562 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.69 -38.3 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.088 0.47 . . . . 0.0 110.691 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.878 ' HB3' ' HB3' ' A' ' 56' ' ' HIS . 21.3 t -135.02 149.82 50.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.611 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -76.95 -165.71 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.917 0.389 . . . . 0.0 111.685 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.502 ' HA ' ' O ' ' A' ' 54' ' ' HIS . 7.0 tt -53.02 122.56 9.59 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.882 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 p -76.52 97.03 4.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.085 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.422 -178.552 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' HG22 ' A' ' 136' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.345 0.117 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 2' ' ' ARG . 41.0 ttp180 -127.57 144.27 51.09 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt 58.71 41.3 22.13 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.831 0.824 . . . . 0.0 110.099 -175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.8 tt -95.41 141.23 15.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.588 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -65.23 107.19 1.51 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD13 ' HB ' ' A' ' 57' ' ' VAL . 37.0 mt -90.17 -8.96 49.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.1 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -94.47 -16.44 23.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.956 0.408 . . . . 0.0 110.985 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.426 HD22 ' OG ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -60.86 140.62 57.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.622 -175.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.2 p -63.3 -17.39 62.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.147 177.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.426 ' OG ' HD22 ' A' ' 8' ' ' LEU . 8.4 m -71.24 -17.38 62.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.33 0.586 . . . . 0.0 109.949 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -97.12 -1.15 45.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.029 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 12.75 72.87 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.859 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.8 m -72.16 133.86 45.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.489 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -111.83 153.0 27.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.668 -173.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 27' ' ' PRO . 14.9 m -101.87 140.5 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.059 174.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.942 HG23 ' HB ' ' A' ' 50' ' ' ILE . 3.6 tt -130.93 146.44 33.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -175.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HB3' ' H ' ' A' ' 18' ' ' ALA . 2.5 tt 71.8 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.802 178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.42 99.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.71 0.631 . . . . 0.0 111.814 -173.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -40.75 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.572 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 m -92.15 89.35 6.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 p -120.5 117.46 27.72 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.044 0.45 . . . . 0.0 111.229 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.61 151.52 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.423 175.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -81.79 -30.69 32.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.941 0.401 . . . . 0.0 110.32 -177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.13 -22.03 27.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.077 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -131.44 76.39 75.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.754 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 6.2 Cg_exo -79.72 156.91 24.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.273 2.649 . . . . 0.0 112.341 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HB2' HG21 ' A' ' 15' ' ' VAL . 18.7 Cg_exo -67.69 -7.36 19.19 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.371 2.714 . . . . 0.0 113.78 -175.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -11.57 47.43 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.53 -0.868 . . . . 0.0 109.497 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.622 ' HA ' ' HB2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -70.23 -16.23 63.02 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.233 173.305 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 39' ' ' TRP . 47.4 mt -56.75 -56.3 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 172.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 ' HB3' ' A' ' 9' ' ' SER . 0.7 OUTLIER -84.05 -91.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.559 173.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.622 ' HB2' ' HA ' ' A' ' 29' ' ' ASN . 32.5 t70 74.26 -51.18 0.68 Allowed 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 165.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.28 18.03 10.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.202 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' OG1' ' A' ' 37' ' ' THR . 52.5 m-80 -134.6 138.18 29.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 13.2 Cg_exo -71.49 -29.42 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.769 2.313 . . . . 0.0 112.447 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -83.16 -16.87 44.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.649 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 34' ' ' ASN . 8.3 p -91.35 139.09 31.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.237 -0.29 . . . . 0.0 110.235 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -154.0 167.25 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.418 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.6 t90 -119.2 140.57 49.98 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.9 t -133.51 165.92 23.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.864 0.364 . . . . 0.0 110.228 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -100.07 141.76 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p -87.84 24.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.87 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.88 -0.69 87.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.619 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 ttt -76.88 85.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.61 0.243 . . . . 0.0 110.682 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 96.7 m-85 -106.92 128.74 25.53 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.357 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 92.3 Cg_endo -88.05 154.62 39.52 Favored 'Cis proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.217 -1.576 . . . . 0.0 112.715 -0.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.736 ' OE1' ' HB ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -127.64 175.4 8.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.772 176.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.59 144.4 25.25 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.988 0.423 . . . . 0.0 111.018 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -139.88 135.7 33.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.942 ' HB ' HG23 ' A' ' 16' ' ' ILE . 19.2 mt -105.83 129.28 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.9 mt -114.06 120.95 65.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.1 p -103.56 133.03 49.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.078 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 98.0 m-85 -70.69 -13.0 61.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.278 -177.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.536 ' CE1' ' HG ' ' A' ' 141' ' ' LEU . 9.1 t-80 69.55 9.43 7.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.018 175.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 139' ' ' SER . 45.1 pttt -168.28 -176.3 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.324 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.96 117.67 30.03 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.527 ' HB ' HD13 ' A' ' 6' ' ' LEU . 21.5 m -131.97 168.02 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.082 0.467 . . . . 0.0 111.639 -176.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.528 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 55.3 mtt-85 -118.97 125.3 49.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.004 172.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.0 mt -97.97 127.45 50.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -120.83 -34.35 3.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.768 0.318 . . . . 0.0 110.602 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 mtp-105 -146.36 141.59 27.39 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.385 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.7 mp -110.16 115.8 30.37 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 58.9 t -91.13 100.83 11.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 131' ' ' VAL . 35.7 mt -115.62 115.7 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.473 0.654 . . . . 0.0 111.936 -174.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' HG3' HD21 ' A' ' 100' ' ' LEU . 47.2 tt0 -96.46 102.79 14.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.44 171.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 p -122.05 153.61 38.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.199 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 1.2 m-85 -135.97 138.13 41.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.681 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 72.39 -10.75 0.88 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.878 0.736 . . . . 0.0 112.414 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.61 144.08 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -113.82 -63.57 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 109.662 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 m -119.38 105.32 11.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.648 -177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 118' ' ' ILE . 41.6 tp -108.95 104.63 13.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -89.78 121.01 31.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.673 HD12 HG13 ' A' ' 89' ' ' ILE . 43.4 mt -100.09 107.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 14.3 mt-10 -95.72 134.52 38.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.344 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 19.0 ttmt -106.96 131.09 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.507 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.499 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 75.4 m -131.33 130.04 42.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.834 170.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -117.21 27.48 9.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.603 0.716 . . . . 0.0 109.669 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -94.76 -178.68 4.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.834 ' HG3' ' HG3' ' A' ' 81' ' ' GLU . 24.0 pttm -77.49 -24.93 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.597 0.713 . . . . 0.0 109.892 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.834 ' HG3' ' HG3' ' A' ' 80' ' ' LYS . 14.3 mt-10 -119.15 158.16 49.03 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.324 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -71.82 70.43 2.82 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.976 1.784 . . . . 0.0 111.272 172.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.83 159.81 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.555 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.78 85.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.378 0.609 . . . . 0.0 110.195 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.674 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 93.9 m-85 -107.99 110.05 21.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 -176.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.59 142.1 30.2 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -73.08 96.43 2.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 109.33 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.51 -67.04 0.76 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.084 -176.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.673 HG13 HD12 ' A' ' 74' ' ' ILE . 4.4 pt -145.32 115.03 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.922 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 0.4 OUTLIER -91.74 119.22 31.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 172.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -99.77 123.4 43.99 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.394 0.616 . . . . 0.0 111.635 -173.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -94.8 120.98 35.89 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.804 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.0 tp -107.08 145.31 32.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.721 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.1 t -102.69 143.99 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -66.97 103.77 1.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.665 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' GLN . 40.2 p -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.082 179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.16 124.37 48.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.56 -24.37 3.74 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.006 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 58.8 tt0 -96.07 111.17 23.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 110.211 177.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 67' ' ' TYR . 2.0 tt -82.59 109.22 16.6 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 175.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -85.67 94.73 9.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.306 0.574 . . . . 0.0 111.553 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.11 97.37 10.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -92.29 116.06 28.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.251 0.548 . . . . 0.0 111.468 -171.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -80.1 98.39 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.475 173.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 72.1 mt -90.47 97.88 7.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.87 0.367 . . . . 0.0 110.601 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.63 100.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.142 0.496 . . . . 0.0 110.15 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.58 117.49 12.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.391 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -98.99 112.75 24.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -174.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 -174.18 36.07 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.183 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.4 m -136.7 139.72 42.15 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.36 155.94 29.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.7 p -109.99 -33.79 6.6 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.061 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.499 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 93.0 m-85 -127.3 128.29 45.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.095 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 60.4 mt -115.03 125.61 53.78 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.557 ' CG ' HG12 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -106.45 103.44 12.9 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 72' ' ' LEU . 50.3 m-85 -85.98 112.22 21.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.197 177.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.9 mt -111.42 110.67 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.736 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 50.6 mt -84.24 93.89 3.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 46.5 t -64.52 -40.85 90.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.005 -174.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.8 m -156.41 157.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.456 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.99 167.03 21.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.12 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -86.17 -14.64 43.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.966 0.412 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -120.86 171.27 8.74 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.932 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -11.19 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.796 0.332 . . . . 0.0 111.032 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -136.31 154.16 50.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.693 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -144.07 139.01 28.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.492 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.5 m -131.09 147.34 52.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.239 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.418 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.8 p -135.2 155.04 36.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -131.13 -63.7 0.84 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.214 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.1 m -110.74 105.12 13.87 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.556 -170.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.633 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -119.02 90.76 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.069 171.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.499 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 49.8 m -100.16 146.22 27.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.323 -172.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -114.35 109.12 17.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -94.43 119.88 33.82 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . -169.69 -131.43 1.32 Allowed Glycine 0 N--CA 1.437 -1.247 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.84 177.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 1' ' ' MET . 36.3 p -140.49 171.15 14.53 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 57' ' ' VAL . 16.1 m -108.24 126.3 64.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.175 0.512 . . . . 0.0 110.917 176.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.73 -40.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 47.9 m -150.66 117.17 5.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.666 178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -81.43 166.56 20.26 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.849 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 54' ' ' HIS . 0.8 OUTLIER -78.08 73.69 4.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.848 0.832 . . . . 0.0 109.637 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.5 m -146.63 17.41 1.29 Allowed 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.057 173.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.161 -177.329 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -128.93 8.53 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.209 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.931 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 18.4 pttp -135.3 105.53 6.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.863 0.839 . . . . 0.0 110.614 176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 135' ' ' GLY . 9.2 tt -111.09 154.29 12.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.156 175.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -71.74 105.12 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 109.982 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 35.4 mt -90.66 11.36 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.132 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -93.05 -3.5 54.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.41 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 30.0 mt -87.95 143.58 27.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.335 0.588 . . . . 0.0 111.388 -172.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' HB3' HG13 ' A' ' 31' ' ' ILE . 52.8 p -73.66 -17.31 61.16 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.298 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -91.49 -11.41 37.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 5.2 tm-20 -76.18 -33.4 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.286 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.62 16.64 3.34 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.369 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.7 m -110.77 147.35 34.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.675 0.237 . . . . 0.0 110.447 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -126.3 153.59 44.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 110.676 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.2 139.05 22.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.889 176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' HB ' ' A' ' 50' ' ' ILE . 6.2 tt -137.78 133.79 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.485 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.6 tt 67.38 94.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.027 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.46 129.65 56.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -54.48 -37.1 64.86 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.558 -173.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 t -152.34 161.82 42.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.588 ' OG ' ' HD3' ' A' ' 27' ' ' PRO . 48.1 t -168.36 151.86 5.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -177.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -118.42 141.41 48.58 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.39 -8.57 54.63 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.961 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -31.91 49.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -141.89 89.39 8.96 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.915 171.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.557 ' HB2' ' OE1' ' A' ' 28' ' ' GLU . 58.2 Cg_endo -70.44 158.67 55.38 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.105 2.537 . . . . 0.0 112.928 -175.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.588 ' HD3' ' OG ' ' A' ' 21' ' ' SER . 41.4 Cg_exo -58.22 -24.8 68.98 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.698 2.932 . . . . 0.0 113.58 -176.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' OE1' ' HB2' ' A' ' 26' ' ' PRO . 1.4 pm0 -61.44 -14.61 29.81 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.318 -0.239 . . . . 0.0 111.55 177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 32' ' ' ASP . 27.8 t-20 -68.89 -22.87 64.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.491 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.6 tt -67.21 -26.2 35.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.414 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 9' ' ' SER . 14.9 pt -107.63 -16.89 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.415 0.626 . . . . 0.0 110.451 178.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' HA ' ' A' ' 29' ' ' ASN . 24.4 t70 -65.7 -50.74 63.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.346 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.32 5.73 32.08 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.588 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -83.8 117.25 68.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.551 0.675 . . . . 0.0 110.028 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -83.47 19.43 1.34 Allowed 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.544 2.829 . . . . 0.0 113.716 -173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.71 -60.22 2.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.529 0.68 . . . . 0.0 110.86 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 m -151.49 164.05 37.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.336 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.856 ' HB3' ' HB2' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -94.02 171.93 8.54 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 179.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.6 t90 -85.29 125.59 33.03 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 t -132.07 143.88 50.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.158 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 158.81 19.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.253 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.8 p -82.66 21.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.047 0.451 . . . . 0.0 111.419 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.47 48.7 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.606 -176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.518 ' CE ' ' HA ' ' A' ' 44' ' ' MET . 7.8 mmt -80.8 88.94 5.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.801 0.334 . . . . 0.0 110.565 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -107.16 146.75 33.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.784 174.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.62 166.93 81.47 Favored 'Cis proline' 0 N--CA 1.462 -0.367 0 C-N-CA 123.09 -1.629 . . . . 0.0 112.095 -0.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.805 ' HB2' ' HB ' ' A' ' 118' ' ' ILE . 51.2 mt-30 -107.22 148.96 28.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 10.2 pt-20 -158.35 122.24 4.02 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.747 168.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 39.9 p90 -128.69 141.21 51.41 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.435 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.0 mt -109.69 122.76 64.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -174.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.1 mt -107.74 120.04 58.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.3 p -106.74 127.33 53.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.48 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 96.0 m-85 -70.57 -13.52 62.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.745 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 66.22 13.77 9.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.347 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 22.7 pttm -169.14 167.09 10.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -87.36 107.07 18.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 0.0 110.331 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.74 168.68 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.877 0.37 . . . . 0.0 111.11 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 19.4 ttm180 -117.56 128.41 54.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.481 173.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.06 133.14 46.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.291 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' HG2' ' HG3' ' A' ' 61' ' ' ARG . 35.5 tt0 -105.5 -40.73 5.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.966 0.412 . . . . 0.0 110.002 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.584 ' HG3' ' HG2' ' A' ' 60' ' ' GLU . 65.6 mtt-85 -141.47 146.91 37.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.203 0.525 . . . . 0.0 111.623 -175.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 60.4 mt -115.25 105.66 13.15 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.141 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.56 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 54.6 t -91.19 95.71 5.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.838 HG23 HG12 ' A' ' 131' ' ' VAL . 28.7 mt -107.67 116.05 50.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -172.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 101' ' ' GLN . 47.2 mt-30 -109.69 110.36 21.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.848 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -136.16 167.82 20.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.299 -175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -136.13 144.38 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.718 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 75.17 -23.38 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.836 0.854 . . . . 0.0 112.984 174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.549 HG13 HG23 ' A' ' 118' ' ' ILE . 55.0 t -54.99 136.03 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.555 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -114.97 -50.77 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.534 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.411 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 6.4 m -120.16 113.87 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.776 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD11 ' HD2' ' A' ' 116' ' ' PHE . 30.9 tp -122.46 107.74 12.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 58.0 tttm -101.49 109.06 20.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.729 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.4 mt -95.59 111.79 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.25 151.85 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.073 178.214 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HE3' ' CG ' ' A' ' 88' ' ' TRP . 16.1 ptpt -117.32 149.36 40.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.7 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 9.5 t -143.17 143.95 31.99 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 170.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.6 p -113.29 7.82 17.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.985 0.421 . . . . 0.0 111.427 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -91.85 178.96 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.632 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -103.65 9.55 37.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.903 0.859 . . . . 0.0 109.207 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 26.0 mt-10 -119.24 139.86 28.15 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.567 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 81' ' ' GLU . 7.6 Cg_exo -74.62 45.97 1.37 Allowed 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 123.142 2.561 . . . . 0.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.85 143.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.833 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 63.78 97.59 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.596 0.712 . . . . 0.0 111.907 174.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 70.4 m-85 -113.0 145.31 41.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.798 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -102.41 144.52 30.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.638 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.53 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 22.9 pt20 -67.84 131.69 46.0 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.437 ' CG ' ' HE3' ' A' ' 76' ' ' LYS . 10.3 t90 -118.92 -72.75 0.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 63.7 mt -128.97 100.56 5.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.886 0.374 . . . . 0.0 111.336 -175.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.73 101.06 12.72 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -115.04 140.56 48.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.202 0.525 . . . . 0.0 111.333 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.7 134.77 46.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.544 173.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.01 172.44 7.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.192 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.43 143.6 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -71.17 104.11 2.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.449 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 28.2 p -112.45 121.97 46.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.413 175.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.3 141.11 36.49 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.95 -40.42 2.66 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.368 -0.92 . . . . 0.0 111.051 -173.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.6 mt-30 -92.84 110.84 22.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -69.48 120.59 15.51 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' GLN . 3.8 tm0? -69.55 97.68 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 178.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -119.99 102.81 8.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.332 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 47.2 mm-40 -92.32 120.95 33.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -99.58 89.51 4.17 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 57.3 mt -94.95 110.08 23.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.938 -171.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.39 88.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 122.069 0.938 . . . . 0.0 109.598 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.404 ' HB2' HG22 ' A' ' 105' ' ' ILE . . . -123.56 114.11 19.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.72 -172.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -99.08 122.33 42.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.522 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.15 168.82 40.63 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.46 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.8 m -131.31 114.08 14.58 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.09 161.49 38.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.891 0.377 . . . . 0.0 111.054 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.7 p -108.15 -33.22 7.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.259 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.455 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 40.4 m-85 -125.24 131.5 53.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.381 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 50.5 mt -114.91 127.19 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.726 0.298 . . . . 0.0 110.214 174.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -107.43 103.66 13.05 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.215 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 76.5 m-85 -90.03 103.52 16.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 46.3 mt -98.23 98.26 7.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.805 ' HB ' ' HB2' ' A' ' 47' ' ' GLN . 48.1 mt -85.27 90.63 2.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' A' ' 71' ' ' THR . 46.6 t -60.37 -64.57 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -175.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.6 m -137.31 159.06 43.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.354 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -131.5 174.09 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.309 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -83.08 -5.8 59.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -135.53 175.23 9.78 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -88.59 -7.81 55.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.097 0.475 . . . . 0.0 110.07 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -127.97 122.36 32.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.788 175.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.86 150.44 28.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.5 p -142.64 133.81 26.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.881 0.372 . . . . 0.0 111.759 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.64 147.01 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.856 ' HB2' ' HB3' ' A' ' 38' ' ' PHE . 58.7 t-80 -130.18 -50.48 1.11 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.079 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 m -115.32 105.32 12.73 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.111 0.481 . . . . 0.0 111.264 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.838 HG12 HG23 ' A' ' 64' ' ' ILE . 3.8 m -116.81 90.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.56 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 40.0 m -90.69 129.01 36.83 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.662 -170.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.35 104.79 14.58 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.931 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 18.1 mt-10 -94.43 124.25 38.34 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.764 0.792 . . . . 0.0 110.345 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 4' ' ' ILE . . . 176.12 -148.8 9.44 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.627 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.66 155.37 40.95 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 117.556 0.678 . . . . 0.0 111.535 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 35.5 m -71.81 138.27 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.251 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.82 -48.83 11.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.852 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.5 t -137.28 120.85 17.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.354 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -92.65 136.33 33.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.825 174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -72.19 -5.66 37.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.866 0.365 . . . . 0.0 111.346 179.177 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.3 m -79.46 9.26 5.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.766 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.449 -0.786 . . . . 0.0 109.66 178.039 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.01 25.72 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.961 -175.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -147.91 113.32 5.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.462 0.649 . . . . 0.0 111.098 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.521 HG23 ' HG ' ' A' ' 6' ' ' LEU . 14.3 tt -124.54 154.54 32.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.89 174.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.12 86.23 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.503 0.668 . . . . 0.0 111.139 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 48.0 mt -79.98 10.92 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.432 -175.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 131' ' ' VAL . 46.0 t -94.58 -9.7 34.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.534 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.46 139.93 39.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.11 0.481 . . . . 0.0 111.694 -172.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.657 ' HB3' HD12 ' A' ' 31' ' ' ILE . 9.4 p -65.88 -18.78 65.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.159 174.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -71.78 -21.85 61.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.697 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -87.67 -19.48 27.62 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.878 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.38 7.65 13.85 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.345 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 m -76.29 123.41 25.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.05 0.453 . . . . 0.0 110.648 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -125.32 120.33 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.247 -177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -85.09 116.88 29.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.187 0.518 . . . . 0.0 111.191 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.548 ' CG1' ' HB ' ' A' ' 50' ' ' ILE . 3.9 pt -124.31 166.93 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.28 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 ' HB2' HG13 ' A' ' 16' ' ' ILE . 2.9 tp 69.02 14.6 8.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.95 0.5 . . . . 0.0 112.157 168.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.37 115.72 3.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.023 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -52.35 -51.13 60.52 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.48 0.487 . . . . 0.0 110.802 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -111.87 139.1 47.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.716 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -137.01 105.69 5.85 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -97.83 142.14 29.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.324 -177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -70.3 -29.63 66.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.51 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.38 -8.25 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.608 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -143.54 76.96 15.64 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.493 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 60.5 Cg_endo -73.42 128.97 13.28 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.522 2.148 . . . . 0.0 112.858 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 25.8 Cg_exo -61.88 -23.43 75.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.983 2.456 . . . . 0.0 112.059 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.61 -10.59 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 0.0 111.026 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.496 HD22 ' HB3' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -86.03 -12.46 50.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.096 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.76 -39.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 121.165 0.507 . . . . 0.0 109.833 175.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 9' ' ' SER . 11.9 pt -83.27 8.07 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.679 177.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' HB3' HD22 ' A' ' 29' ' ' ASN . 18.5 t70 -102.42 -37.27 8.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.571 177.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.9 49.2 8.98 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.556 177.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 63.4 t30 -97.44 120.21 61.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 120.626 0.251 . . . . 0.0 110.494 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 23.5 Cg_exo -65.1 -5.27 10.6 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.176 2.584 . . . . 0.0 113.099 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -95.91 -44.13 7.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.984 0.421 . . . . 0.0 111.443 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.3 m -102.5 149.66 24.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.499 -172.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 129' ' ' HIS . 46.7 p90 -145.54 165.58 28.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.285 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HE3' HG12 ' A' ' 128' ' ' VAL . 57.7 t90 -105.62 144.14 32.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.002 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.5 t -138.47 164.12 30.19 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -116.82 160.21 21.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.905 0.383 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -87.07 26.52 1.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.139 0.495 . . . . 0.0 111.229 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.32 31.99 29.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.162 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.467 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 64.4 mtt -91.81 95.28 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.711 0.291 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 83.1 m-85 -107.04 129.86 23.72 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.397 174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.891 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 3.2 Cg_exo -81.45 164.01 77.29 Favored 'Cis proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.599 -1.417 . . . . 0.0 111.695 -2.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 44' ' ' MET . 1.4 pt20 -127.42 138.85 53.09 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.152 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.09 144.98 48.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.979 0.418 . . . . 0.0 110.789 -178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -145.09 144.93 31.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.19 172.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HB ' ' CG1' ' A' ' 16' ' ' ILE . 72.5 mt -109.22 114.97 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.834 -175.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.3 mt -92.35 107.44 18.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.7 m -86.93 116.49 25.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.603 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 95.4 m-85 -77.91 -25.65 48.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.902 0.382 . . . . 0.0 110.282 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 65.24 11.22 7.06 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.087 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 140' ' ' ASN . 52.6 pttt -156.28 163.85 39.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.42 -177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -89.35 109.07 20.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 137' ' ' VAL . 24.3 m -123.31 156.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 112.043 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 7.6 ttp85 -107.98 111.8 24.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.713 175.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 80.7 mt -92.78 133.04 35.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.37 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -123.7 -1.59 8.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.977 0.418 . . . . 0.0 110.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -166.44 137.91 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD12 HD11 ' A' ' 89' ' ' ILE . 96.9 mt -119.96 125.94 49.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.55 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 90.4 t -101.54 111.87 32.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 105' ' ' ILE . 17.9 mm -106.72 104.02 16.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.092 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -103.99 102.35 12.12 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB3' HG23 ' A' ' 128' ' ' VAL . 12.6 p -151.29 -179.87 7.73 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -174.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.861 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 19.7 m-85 -121.01 142.59 49.66 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.356 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 65.0 -96.78 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.754 0.659 . . . . 0.0 111.91 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.848 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.4 t 58.2 -174.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.179 0.592 . . . . 0.0 110.659 -176.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.848 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -172.7 -69.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.1 m -105.56 99.79 9.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.036 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD11 ' HD2' ' A' ' 116' ' ' PHE . 28.4 tp -103.67 101.14 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.492 0.663 . . . . 0.0 110.366 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HE3' HD12 ' A' ' 117' ' ' ILE . 52.9 tttp -90.64 106.94 18.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.572 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.581 HD12 HG13 ' A' ' 89' ' ' ILE . 36.7 mt -96.18 108.7 21.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.765 ' HG2' ' HB3' ' A' ' 85' ' ' PHE . 23.7 tt0 -111.62 136.63 50.57 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.53 155.48 22.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.229 0.538 . . . . 0.0 111.594 -172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 11.5 t -142.87 132.64 23.98 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 107.904 -1.146 . . . . 0.0 107.904 165.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -113.17 12.73 19.12 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.361 0.601 . . . . 0.0 110.4 -177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.0 t -89.58 -164.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.697 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 2.7 ptmm? -107.15 -6.4 17.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.123 0.487 . . . . 0.0 110.938 178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 25.3 mp0 -97.81 146.29 31.2 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.62 32.65 0.51 Allowed 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.645 2.23 . . . . 0.0 112.165 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.73 166.9 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.823 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.1 t70 63.17 105.86 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.053 0.845 . . . . 0.0 110.84 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.765 ' HB3' ' HG2' ' A' ' 75' ' ' GLU . 98.1 m-85 -126.31 156.46 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 112.328 -169.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -115.54 136.37 53.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.929 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -75.08 116.68 16.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.952 0.406 . . . . 0.0 110.491 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.2 t90 -90.93 -78.6 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.352 -176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.581 HG13 HD12 ' A' ' 74' ' ' ILE . 7.0 pt -141.24 109.96 2.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.349 0.595 . . . . 0.0 111.368 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.24 105.34 17.47 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -112.88 144.66 42.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.98 0.419 . . . . 0.0 111.29 -170.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 5.2 p-10 -98.95 149.02 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.799 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 69' ' ' VAL . 82.8 mt -121.77 173.48 7.44 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.371 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -101.62 146.95 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -62.84 105.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.675 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 p -91.28 119.33 31.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.09 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -103.79 118.0 35.67 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.073 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.24 38.97 91.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.595 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -136.69 132.82 35.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.703 0.287 . . . . 0.0 111.236 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.861 ' HG ' ' HE1' ' A' ' 67' ' ' TYR . 0.3 OUTLIER -97.64 97.22 8.85 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -106.38 136.06 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.132 0.491 . . . . 0.0 111.091 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.566 ' N ' HD22 ' A' ' 102' ' ' ASN . 0.7 OUTLIER -97.03 115.61 27.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.04 175.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.07 130.02 37.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -107.76 99.78 9.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.195 -175.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 64' ' ' ILE . 3.1 mp -99.17 119.56 47.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.432 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.49 97.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.729 0.776 . . . . 0.0 109.634 173.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -129.9 112.33 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.471 -173.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 52.6 m-70 -102.23 112.08 24.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 157.69 30.25 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.875 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.3 p -104.38 136.68 43.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -154.93 161.52 41.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.048 0.452 . . . . 0.0 111.526 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.8 p -122.09 -33.93 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.492 174.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.437 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 88.7 m-85 -125.29 126.62 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.549 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 30.4 mt -114.79 121.25 42.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.598 ' CZ ' HD11 ' A' ' 117' ' ' ILE . 17.5 ttp180 -106.38 100.54 10.07 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.12 0.486 . . . . 0.0 110.004 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.547 ' HD2' HD11 ' A' ' 72' ' ' LEU . 38.7 m-85 -82.61 116.34 21.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.904 177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.598 HD11 ' CZ ' ' A' ' 115' ' ' ARG . 55.6 mt -114.4 107.32 22.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 29.8 mt -88.29 93.66 4.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 173.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.891 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 42.7 t -62.52 -49.18 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.019 -173.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 70' ' ' GLN . 69.2 m -155.6 165.89 35.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.848 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 70' ' ' GLN . . . -132.07 168.89 17.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.89 179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -70.2 -8.65 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.086 0.469 . . . . 0.0 110.819 177.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -135.48 -172.18 3.02 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -95.83 -6.4 39.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.049 0.452 . . . . 0.0 110.473 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.43 133.74 48.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.407 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -136.13 118.35 15.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.497 ' HB2' ' HD2' ' A' ' 67' ' ' TYR . 15.0 m -142.08 122.69 14.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -174.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.554 HG12 ' HE3' ' A' ' 39' ' ' TRP . 8.2 p -100.53 130.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 6.5 t60 -79.54 -59.19 2.85 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 m -160.27 159.61 31.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.952 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.435 HG23 ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -128.0 170.95 16.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.671 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.8 m -149.72 128.8 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -106.05 107.67 18.78 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.41 123.7 40.15 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.253 0.549 . . . . 0.0 110.672 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 175.44 -144.41 7.21 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -137.97 154.83 49.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 0.0 111.32 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.511 ' HA ' HG12 ' A' ' 57' ' ' VAL . 59.4 t -83.43 112.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.942 176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.68 -61.14 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.036 0.445 . . . . 0.0 110.094 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.0 m -152.97 116.34 4.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.575 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.635 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 89.8 m-20 -62.32 166.92 4.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.767 173.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 pp -60.15 124.78 21.32 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 24.1 t -170.1 167.03 8.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.068 -174.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.247 0.943 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.307 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.747 0.308 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.607 ' HE ' ' HG2' ' A' ' 60' ' ' GLU . 31.5 ptt-85 -130.47 59.7 1.64 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 0.0 110.632 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -130.04 93.55 3.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.056 175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 6.5 tt -134.52 128.05 50.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -63.48 106.44 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.514 0.673 . . . . 0.0 110.268 -175.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.719 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 25.9 mt -84.88 -2.44 57.81 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.379 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.03 -14.37 25.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 0.0 111.376 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 65.5 mt -64.08 131.43 47.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.177 0.513 . . . . 0.0 112.095 -176.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.744 ' HB3' HD12 ' A' ' 31' ' ' ILE . 18.6 p -64.81 -20.05 66.18 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.438 170.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 m -72.5 -23.61 61.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.375 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 8' ' ' LEU . 50.1 mm-40 -95.35 9.74 38.8 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.26 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.79 9.73 59.54 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.647 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . 19.2 m -86.44 149.5 24.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.382 0.591 . . . . 0.0 110.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -132.99 151.04 52.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -112.32 110.72 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.847 0.832 . . . . 0.0 111.192 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.653 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.2 tt -113.02 154.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.417 -175.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER 74.5 20.22 2.53 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.901 0.48 . . . . 0.0 112.149 171.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.74 117.71 6.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.274 -0.266 . . . . 0.0 110.938 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -65.03 -61.23 2.28 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -103.94 102.42 12.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.033 0.444 . . . . 0.0 110.987 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -91.58 119.95 31.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 11.3 t70 -96.77 147.38 23.98 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.72 -20.51 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.063 0.459 . . . . 0.0 111.454 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -89.97 -30.14 18.0 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASP . 97.6 m-70 -129.5 81.69 69.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.992 -1.004 . . . . 0.0 108.989 170.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 29.1 Cg_endo -62.48 155.24 59.2 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.066 2.511 . . . . 0.0 113.168 -173.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' O ' HG22 ' A' ' 30' ' ' ILE . 35.6 Cg_exo -58.33 -20.99 50.61 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.018 2.479 . . . . 0.0 112.233 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.47 -14.9 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.19 -12.5 54.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.464 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.3 tt -78.26 -27.11 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.551 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.744 HD12 ' HB3' ' A' ' 9' ' ' SER . 4.9 pt -94.09 13.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 122.006 0.908 . . . . 0.0 109.596 174.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' CG ' HD22 ' A' ' 34' ' ' ASN . 21.6 t70 -109.6 -64.91 1.2 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.647 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.16 21.64 77.72 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.689 -0.687 . . . . 0.0 114.277 171.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.484 HD22 ' CG ' ' A' ' 32' ' ' ASP . 43.7 m-80 -84.85 147.56 48.83 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 117.733 0.767 . . . . 0.0 110.189 176.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.77 16.19 0.28 Allowed 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.321 2.68 . . . . 0.0 114.135 -172.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -96.9 -41.07 8.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.2 t -151.52 141.0 21.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.609 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' ' 128' ' ' VAL . 42.2 p90 -145.84 170.0 17.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.059 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -87.54 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.029 0.442 . . . . 0.0 110.997 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -122.59 139.67 53.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 43' ' ' GLY . 7.3 m -76.55 139.28 40.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.115 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -77.76 -9.8 59.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.912 0.387 . . . . 0.0 111.626 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 41' ' ' THR . . . 115.16 -3.24 22.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.405 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.2 mtt -78.84 97.57 6.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.082 0.468 . . . . 0.0 110.728 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -107.06 147.93 36.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.587 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.81 155.53 97.67 Favored 'Cis proline' 0 C--O 1.235 0.371 0 C-N-CA 122.995 -1.669 . . . . 0.0 112.09 -1.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' CG ' ' HB ' ' A' ' 118' ' ' ILE . 19.9 pt20 -106.97 144.06 34.15 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.138 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 115' ' ' ARG . 10.2 pt-20 -143.9 131.11 20.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.268 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 116' ' ' PHE . 37.7 p90 -145.17 143.65 30.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.653 ' HB ' HG23 ' A' ' 16' ' ' ILE . 55.6 mt -109.84 112.45 40.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.091 0.472 . . . . 0.0 110.802 -176.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.6 mt -93.65 112.97 27.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.1 p -97.74 131.33 44.37 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.078 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.61 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 99.6 m-85 -72.42 -24.28 61.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.021 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 67.82 15.78 9.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.361 0.601 . . . . 0.0 110.275 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 18.8 pttm -162.57 155.86 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.599 -176.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -82.72 105.8 14.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 137' ' ' VAL . 33.8 m -119.12 169.35 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.048 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 58' ' ' ARG . 22.2 ttt180 -129.09 117.02 20.15 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.735 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 64.0 mt -90.02 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.506 -175.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' HE ' ' A' ' 2' ' ' ARG . 14.5 tp10 -115.76 -26.89 7.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.332 0.587 . . . . 0.0 110.261 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -165.8 139.1 4.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.742 -174.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.73 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 6.2 mp -110.19 140.14 44.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.713 0.292 . . . . 0.0 110.419 177.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.93 95.48 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.5 mm -100.81 111.19 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.794 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -117.44 107.95 14.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.138 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.1 m -147.81 167.31 25.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.99 143.05 45.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.807 177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 74.4 m-85 70.65 2.64 4.2 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 170.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.4 125.94 39.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.792 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.761 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 34.2 tt0 -111.39 -76.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 174.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.0 m -85.2 101.36 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.165 0.507 . . . . 0.0 110.344 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.738 HD11 ' HD1' ' A' ' 116' ' ' PHE . 17.8 tp -112.33 110.13 20.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.39 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 40.6 tttp -97.31 108.36 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.104 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.6 mt -93.09 106.78 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.051 0.453 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.497 ' HB3' ' HB3' ' A' ' 115' ' ' ARG . 28.3 tt0 -95.89 135.7 37.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.156 -177.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 10.4 ttmt -111.51 135.74 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.011 0.434 . . . . 0.0 112.019 -172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.705 ' HB2' ' HB2' ' A' ' 113' ' ' TYR . 51.0 m -136.88 127.57 27.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.191 170.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.34 16.45 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.386 0.612 . . . . 0.0 110.519 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -86.09 157.2 20.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.87 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.95 -4.2 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.373 0.606 . . . . 0.0 109.854 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' HB2' HG22 ' A' ' 83' ' ' VAL . 31.4 mt-10 -117.44 154.56 50.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.485 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -75.07 43.05 0.92 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 122.758 2.306 . . . . 0.0 112.657 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG22 ' HB2' ' A' ' 81' ' ' GLU . 30.9 m -129.02 169.58 20.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.24 -176.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 63.45 106.76 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.061 0.851 . . . . 0.0 111.441 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 55.8 m-85 -115.8 127.32 54.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -127.67 128.62 45.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.35 110.07 5.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.59 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 14.5 t90 -84.43 -67.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.333 -178.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.2 mt -134.84 143.1 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -139.02 115.24 10.34 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -120.58 161.57 21.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.189 0.518 . . . . 0.0 112.056 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.761 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 3.7 p30 -133.02 133.6 43.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.472 171.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.94 166.06 11.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.501 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -109.43 154.04 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.646 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -58.22 113.94 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 17.4 p -129.1 114.57 16.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.804 169.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -100.95 113.45 26.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.725 -175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 -18.52 34.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.8 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.47 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 77.4 mt-30 -92.47 112.12 23.95 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 mt -74.47 101.85 4.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -88.36 89.45 7.99 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.903 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.52 109.08 3.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.91 104.21 16.66 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.723 0.773 . . . . 0.0 110.069 -171.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.1 pt-20 -90.06 102.55 15.26 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.299 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.73 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 38.8 mm -79.71 98.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.374 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.2 m -75.05 90.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.785 0.802 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.183 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.735 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 3.2 p80 -103.6 111.05 23.35 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.411 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.29 168.43 34.13 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.531 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -108.8 131.66 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.669 0.235 . . . . 0.0 110.379 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -157.15 154.19 28.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.702 0.287 . . . . 0.0 110.712 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.0 p -115.39 -34.98 4.76 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.223 177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.705 ' HB2' ' HB2' ' A' ' 77' ' ' SER . 39.1 m-85 -122.32 131.3 53.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.94 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 76' ' ' LYS . 69.1 mt -127.43 126.3 42.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.543 0.211 . . . . 0.0 110.442 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 50' ' ' ILE . 4.6 ttm-85 -106.3 110.65 22.95 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.738 ' HD1' HD11 ' A' ' 72' ' ' LEU . 67.9 m-85 -85.1 109.95 18.62 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.656 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 36.0 mt -106.03 102.43 13.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.965 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.495 ' HB ' ' CG ' ' A' ' 47' ' ' GLN . 52.1 mt -88.76 99.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.1 -46.71 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.984 -174.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.4 m -127.09 127.35 44.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.746 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.36 159.83 30.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 66.8 m-85 -70.88 -30.37 66.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.22 0.534 . . . . 0.0 110.483 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -117.87 -172.27 2.22 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.516 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 97.7 m-70 -101.18 -4.58 26.96 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 177.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -122.91 122.31 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.816 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -103.7 137.89 41.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.928 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.419 ' HB3' ' HE1' ' A' ' 38' ' ' PHE . 18.7 m -127.92 111.81 14.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 3.6 p -94.82 109.94 23.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.249 0.547 . . . . 0.0 110.073 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -73.05 -54.19 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.58 -176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.0 p -164.34 125.96 2.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.945 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.31 118.27 54.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.963 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 44.4 m -121.31 145.25 48.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.51 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.719 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -110.67 120.23 41.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -95.11 143.21 26.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.207 0.527 . . . . 0.0 110.257 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 149.08 -154.46 25.81 Favored Glycine 0 N--CA 1.439 -1.166 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 p -143.28 163.68 32.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 117.206 0.503 . . . . 0.0 111.311 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 57' ' ' VAL . 31.5 t -89.38 114.84 28.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.072 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.81 -44.7 98.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p -164.97 126.42 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.13 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -76.97 140.17 40.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 168.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.47 108.74 1.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.967 0.413 . . . . 0.0 111.071 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 p -133.67 68.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.501 0.667 . . . . 0.0 110.557 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.186 -179.653 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.802 0.334 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -120.31 -161.79 0.9 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 68.17 61.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.663 0.602 . . . . 0.0 111.769 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 9.6 tt -95.39 133.85 34.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -70.27 91.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.084 0.468 . . . . 0.0 110.702 -177.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD22 HG11 ' A' ' 57' ' ' VAL . 20.5 mt -82.91 8.1 13.51 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.072 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.755 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 24.7 p -94.24 -30.96 14.3 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.631 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -64.14 139.32 58.75 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -166.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -62.35 -21.66 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.278 173.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -70.7 -20.1 62.71 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.17 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -92.18 2.11 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.05 13.72 61.73 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.954 175.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.7 p -72.31 162.23 29.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.907 0.384 . . . . 0.0 110.324 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.558 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 10.1 tp10 -142.91 140.62 31.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.157 178.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.84 102.07 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.008 0.908 . . . . 0.0 109.935 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 HG23 ' HB ' ' A' ' 50' ' ' ILE . 4.3 tt -105.08 131.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.288 -176.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 6.3 tt 71.0 118.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.68 0.613 . . . . 0.0 111.029 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 48' ' ' GLU . . . -151.57 135.44 16.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.915 176.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -63.36 -28.95 70.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.542 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -120.99 139.61 53.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.817 0.341 . . . . 0.0 110.515 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.9 t -156.83 151.48 25.67 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -145.44 157.22 44.05 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -86.81 -24.96 24.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.997 0.427 . . . . 0.0 111.104 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -92.5 -30.54 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -128.87 85.32 60.5 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.243 174.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.96 149.55 22.8 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.127 2.551 . . . . 0.0 112.991 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.696 ' HB3' ' CD1' ' A' ' 39' ' ' TRP . 56.9 Cg_endo -74.36 -5.49 17.0 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.88 2.387 . . . . 0.0 112.798 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -71.23 -12.75 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.227 0.537 . . . . 0.0 111.224 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -94.05 -3.22 51.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.316 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 27' ' ' PRO . 11.4 tt -66.15 -35.35 74.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.997 0.427 . . . . 0.0 111.309 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 10.7 pt -80.69 -26.91 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.644 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -82.9 -18.05 41.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.34 53.34 5.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.163 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.86 130.72 54.12 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.58 -42.52 4.92 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.709 2.273 . . . . 0.0 112.422 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.3 -60.55 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m -94.95 115.37 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.109 0.48 . . . . 0.0 110.877 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -133.86 174.74 10.13 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.241 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.696 ' CD1' ' HB3' ' A' ' 27' ' ' PRO . 33.9 t90 -93.28 121.76 34.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.296 0.569 . . . . 0.0 110.862 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -124.0 170.33 10.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.04 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.806 ' HB ' ' HB2' ' A' ' 125' ' ' PHE . 3.3 m -104.87 147.44 27.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.837 0.351 . . . . 0.0 111.381 -173.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -83.83 -21.62 32.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.597 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.753 ' H ' HG22 ' A' ' 41' ' ' THR . . . 114.09 47.17 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.727 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -136.32 116.2 13.17 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -106.65 145.67 31.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.672 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -80.81 146.9 73.2 Favored 'Cis proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.298 -0.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.767 ' HG3' ' HB ' ' A' ' 118' ' ' ILE . 16.7 pt20 -107.09 114.06 27.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.259 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 9.4 pt-20 -124.38 158.78 31.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.004 -177.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 45.8 p90 -155.09 144.77 21.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.577 173.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.806 HG12 ' HG3' ' A' ' 115' ' ' ARG . 57.0 mt -108.9 124.33 65.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.884 0.373 . . . . 0.0 110.962 -176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.02 120.32 54.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 14' ' ' GLU . 16.1 p -110.46 132.91 53.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.927 0.394 . . . . 0.0 110.72 -178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 55' ' ' LYS . 74.3 m-85 -82.02 -23.63 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.712 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.421 ' HB3' HD21 ' A' ' 141' ' ' LEU . 70.2 m-70 71.0 -17.73 0.29 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.586 0.754 . . . . 0.0 111.467 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 53' ' ' PHE . 42.7 pttt -125.95 161.31 27.78 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.33 107.77 16.8 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD22 ' A' ' 6' ' ' LEU . 16.3 m -121.49 160.92 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.993 0.425 . . . . 0.0 110.981 -178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 110' ' ' SER . 57.4 ttp85 -125.52 122.14 35.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -89.64 141.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.247 -173.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 108' ' ' HIS . 1.5 tp10 -93.78 -50.28 5.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.563 HH11 ' HG3' ' A' ' 61' ' ' ARG . 26.4 ptt85 -161.09 154.4 21.59 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.913 173.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 mp -112.7 134.93 53.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.509 -177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.545 ' HB ' ' OG ' ' A' ' 132' ' ' SER . 85.6 t -96.06 112.73 28.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.73 109.15 27.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.674 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.474 ' HB2' ' H ' ' A' ' 130' ' ' SER . 77.8 mt-30 -101.64 102.17 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -152.92 147.03 25.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.4 t80 -128.89 159.32 36.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 73.9 m-85 72.92 -10.79 0.94 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.56 0.744 . . . . 0.0 111.714 -177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' LEU . 45.8 t -70.81 137.54 23.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 24.6 tt0 -113.25 -74.02 0.64 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 176.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -95.87 103.64 15.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.756 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.512 HD11 ' HD2' ' A' ' 116' ' ' PHE . 22.3 tp -111.76 114.49 27.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.269 0.557 . . . . 0.0 110.905 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HB3' ' HB ' ' A' ' 117' ' ' ILE . 20.7 ttmm -103.63 120.45 40.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 89' ' ' ILE . 62.5 mt -99.55 107.65 21.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.993 0.425 . . . . 0.0 110.06 178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -99.66 129.11 45.77 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.82 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 28.7 ttpp -107.58 139.58 41.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.965 0.412 . . . . 0.0 111.268 -173.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 34.4 t -139.18 140.73 37.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.766 174.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.0 p -112.54 17.47 19.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.235 0.541 . . . . 0.0 110.235 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -85.31 156.64 20.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.558 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -82.27 -19.57 39.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.82 0.819 . . . . 0.0 108.87 173.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.584 ' HB2' HG22 ' A' ' 83' ' ' VAL . 5.7 mm-40 -105.92 157.27 35.1 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.757 -1.111 . . . . 0.0 108.971 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.59 51.21 1.46 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.967 2.445 . . . . 0.0 112.685 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 81' ' ' GLU . 29.4 m -138.36 173.0 13.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.773 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.4 t70 58.0 88.79 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.42 0.629 . . . . 0.0 110.925 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.63 144.95 41.25 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.283 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -135.0 128.63 32.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.645 -175.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -71.79 106.77 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.344 0.593 . . . . 0.0 110.485 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -92.26 -52.32 4.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.717 -174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HB ' ' A' ' 74' ' ' ILE . 61.9 mt -135.57 146.41 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -138.96 121.45 16.15 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -136.07 135.42 39.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.898 0.38 . . . . 0.0 110.739 -174.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.556 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 8.6 p-10 -104.54 129.67 52.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.68 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 20.2 tp -73.93 142.14 45.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.233 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.643 ' HB ' HE22 ' A' ' 101' ' ' GLN . 60.2 t -96.53 124.45 49.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -74.91 91.67 2.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.104 0.478 . . . . 0.0 110.786 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.9 p -81.31 114.58 20.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 168.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -73.26 121.51 20.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.335 -172.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.22 -0.29 87.24 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.441 -179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -129.2 129.41 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -80.16 116.62 20.37 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 171.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.643 HE22 ' HB ' ' A' ' 94' ' ' VAL . 34.8 tt0 -83.14 97.11 8.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.287 0.565 . . . . 0.0 111.221 -175.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.98 115.93 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.991 172.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.17 121.52 43.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.762 0.315 . . . . 0.0 111.018 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 7.4 pt-20 -96.62 103.6 15.52 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.882 0.849 . . . . 0.0 109.332 171.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.9 mt -85.37 100.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.131 -176.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -75.7 106.98 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.596 0.713 . . . . 0.0 109.945 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.485 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -147.62 117.93 7.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.467 -176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.474 ' HD2' ' OE2' ' A' ' 60' ' ' GLU . 70.2 m80 -99.29 107.39 19.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.274 -177.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.95 164.11 37.6 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.646 -0.787 . . . . 0.0 111.987 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 58' ' ' ARG . 20.2 m -108.14 143.62 36.66 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.478 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -158.71 160.17 36.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.9 p -119.57 -34.68 3.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.678 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 42.2 m-85 -124.6 127.59 47.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.031 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 76' ' ' LYS . 66.9 mt -121.42 124.5 44.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.806 ' HG3' HG12 ' A' ' 50' ' ' ILE . 3.5 ttm-85 -106.51 119.63 39.79 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 48' ' ' GLU . 71.8 m-85 -94.29 102.01 13.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.745 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.498 HG13 ' HD2' ' A' ' 115' ' ' ARG . 4.4 mp -97.38 103.39 14.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.844 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.767 ' HB ' ' HG3' ' A' ' 47' ' ' GLN . 50.1 mt -85.84 96.13 4.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 173.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.7 t -70.8 -40.72 77.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.896 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 t -146.74 157.58 43.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.088 -177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.91 171.66 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.558 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -80.9 -16.34 53.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -134.92 -172.09 2.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.788 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.412 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 86.1 m-70 -74.39 -14.83 60.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.806 ' HB2' ' HB ' ' A' ' 41' ' ' THR . 49.4 p90 -150.6 158.84 44.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.85 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HB1' HG22 ' A' ' 69' ' ' VAL . . . -114.5 157.96 22.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.0 m -135.06 120.06 18.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.045 0.45 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.404 HG11 HD11 ' A' ' 30' ' ' ILE . 8.1 p -104.34 136.62 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.74 178.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -98.27 -60.35 1.57 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 -175.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 65' ' ' GLN . 15.0 m -148.73 133.63 18.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.278 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.9 m -125.73 142.75 41.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.755 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 26.6 p -143.44 136.4 27.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.675 0.274 . . . . 0.0 110.884 178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.63 102.71 12.15 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -98.03 104.02 16.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.479 0.657 . . . . 0.0 110.635 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -130.63 1.6 Allowed Glycine 0 N--CA 1.443 -0.897 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.326 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 p -144.55 154.98 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.9 t -94.66 132.04 39.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.961 178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.24 -57.47 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p -139.51 146.18 39.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.14 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -100.18 179.17 4.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.731 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 54' ' ' HIS . 78.9 mt -66.84 153.26 43.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.112 0.482 . . . . 0.0 111.358 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.4 t -143.31 110.41 5.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.69 -0.672 . . . . 0.0 110.793 -178.042 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mmt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.625 ' HA ' HG23 ' A' ' 136' ' ' THR . 12.1 ptm180 -84.08 15.17 3.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.106 0.479 . . . . 0.0 111.325 -174.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -129.07 91.93 3.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.198 0.523 . . . . 0.0 109.863 171.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 10.5 tt -120.25 121.09 64.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 168.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.44 94.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 122.138 0.97 . . . . 0.0 110.504 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 4' ' ' ILE . 14.6 mt -79.12 11.22 2.91 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.831 -168.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.695 ' O ' ' HB ' ' A' ' 31' ' ' ILE . 39.7 t -94.58 -12.11 28.13 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.185 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 11' ' ' GLU . 61.1 mt -74.07 140.48 45.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.05 0.452 . . . . 0.0 111.66 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.587 ' HB2' HG13 ' A' ' 31' ' ' ILE . 18.8 t -68.42 -19.42 64.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.523 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -90.52 -9.23 48.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.545 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.695 ' HB2' ' HB2' ' A' ' 8' ' ' LEU . 7.1 tm-20 -89.57 -24.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.187 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.65 3.18 8.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.973 176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.0 m -98.68 150.71 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.665 0.269 . . . . 0.0 110.441 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -131.53 150.48 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.331 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 p -97.46 136.24 28.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.191 0.52 . . . . 0.0 110.093 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG23 ' HB ' ' A' ' 50' ' ' ILE . 5.3 tt -135.82 134.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.337 -177.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.4 tt 69.45 99.7 0.06 Allowed 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.681 0.613 . . . . 0.0 111.005 175.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.45 119.16 25.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.3 m -56.96 -56.87 16.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.046 -177.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -98.03 144.68 27.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.527 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.7 t -158.12 131.26 7.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.995 0.426 . . . . 0.0 110.791 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.832 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 12.2 t70 -101.58 155.16 18.26 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 172.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -78.78 -23.28 45.34 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.783 0.325 . . . . 0.0 110.894 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -107.08 -2.4 21.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.202 0.525 . . . . 0.0 110.078 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.832 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 32.0 m170 -128.0 76.89 77.25 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.033 172.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.526 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 55.5 Cg_endo -88.35 137.58 3.68 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 122.716 2.278 . . . . 0.0 112.572 -175.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.526 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 16.8 Cg_exo -68.08 -17.58 45.74 Favored 'Trans proline' 0 C--O 1.223 -0.245 0 C-N-CA 123.393 2.728 . . . . 0.0 113.711 -172.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -66.15 -14.48 61.91 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 122.176 -0.328 . . . . 0.0 111.716 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.12 -2.65 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 HG23 ' A' ' 31' ' ' ILE . 8.1 tt -62.49 -35.64 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.087 0.47 . . . . 0.0 111.544 -174.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.695 ' HB ' ' O ' ' A' ' 7' ' ' CYS . 25.2 pt -87.93 -18.46 8.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.298 -172.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -89.77 -15.41 32.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.051 0.453 . . . . 0.0 110.545 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.29 52.86 7.23 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.144 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -103.33 112.75 65.89 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.46 -16.84 52.43 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.34 2.693 . . . . 0.0 112.979 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.92 -48.85 80.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.456 . . . . 0.0 110.509 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -116.39 115.48 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.0 142.77 34.2 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -96.19 113.65 25.26 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 t -126.09 138.8 53.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.78 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 43' ' ' GLY . 55.9 m -85.25 132.53 34.26 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.254 -176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -77.85 8.67 4.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.275 -175.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.558 ' H ' HG22 ' A' ' 41' ' ' THR . . . 102.3 25.47 7.82 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.258 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.61 101.79 13.53 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 120' ' ' SER . 83.0 m-85 -106.85 138.82 19.9 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.265 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 84.2 Cg_endo -85.7 163.74 57.59 Favored 'Cis proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.364 -1.515 . . . . 0.0 112.608 0.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.408 ' HG2' HG21 ' A' ' 41' ' ' THR . 27.8 mt-30 -107.12 111.73 24.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.359 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -121.52 125.35 46.6 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.265 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.616 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 30.4 p90 -139.28 140.17 37.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.883 176.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HB ' HG23 ' A' ' 16' ' ' ILE . 69.8 mt -111.52 135.77 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.645 -175.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.44 117.17 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.9 p -103.85 127.65 51.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.578 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 54' ' ' HIS . 96.4 m-85 -81.15 -20.73 40.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.309 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.446 ' O ' HD21 ' A' ' 141' ' ' LEU . 23.5 m-70 68.68 6.64 5.61 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 139' ' ' SER . 40.1 pttt -154.27 179.7 8.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.14 -171.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 139' ' ' SER . 42.6 m-70 -101.49 110.94 23.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.482 HG13 ' HG3' ' A' ' 55' ' ' LYS . 35.5 m -123.8 148.82 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 111.676 -177.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.897 174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.407 HD13 HD11 ' A' ' 114' ' ' LEU . 69.5 mt -89.6 123.42 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -115.12 -14.77 11.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.16 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -170.08 156.06 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.6 mp -133.28 136.8 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.665 0.269 . . . . 0.0 110.696 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 131' ' ' VAL . 46.5 t -103.45 109.0 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.864 175.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 19.3 mm -113.11 103.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -117.32 102.19 9.05 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 m -140.75 167.24 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -95.3 123.73 38.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.39 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 67.85 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.063 0.852 . . . . 0.0 112.232 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.905 HG12 ' H ' ' A' ' 70' ' ' GLN . 2.9 t 56.33 -160.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -173.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.905 ' H ' HG12 ' A' ' 69' ' ' VAL . 35.2 tt0 -174.22 -77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.6 m -108.35 103.42 12.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.854 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD11 ' HD2' ' A' ' 116' ' ' PHE . 27.1 tp -103.41 102.21 12.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.231 0.538 . . . . 0.0 110.246 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.612 ' HZ1' ' HG2' ' A' ' 87' ' ' GLN . 51.9 tttp -96.92 109.9 22.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.669 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -104.65 117.26 49.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.925 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ARG . 0.5 OUTLIER -95.56 142.02 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 176.017 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 88' ' ' TRP . 78.6 tttt -106.71 134.45 49.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.048 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.504 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 31.3 t -142.1 143.34 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.854 0.359 . . . . 0.0 110.191 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m -128.72 23.44 5.79 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.592 0.711 . . . . 0.0 109.46 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -77.33 178.07 7.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.885 -178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -79.65 -31.1 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.274 0.559 . . . . 0.0 109.724 176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.657 ' HB3' ' HD2' ' A' ' 82' ' ' PRO . 31.3 mt-10 -119.27 168.94 8.94 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.266 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.657 ' HD2' ' HB3' ' A' ' 81' ' ' GLU . 56.6 Cg_endo -70.86 46.46 0.65 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.003 2.469 . . . . 0.0 112.598 176.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.74 160.64 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.156 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 61.55 93.1 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.546 0.689 . . . . 0.0 111.126 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 77.5 m-85 -116.35 167.96 10.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.085 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.04 139.34 34.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.612 ' HG2' ' HZ1' ' A' ' 73' ' ' LYS . 18.9 mt-30 -63.28 108.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.352 0.407 . . . . 0.0 110.25 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 76' ' ' LYS . 18.3 t90 -97.11 -65.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.04 -173.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.7 mt -138.11 108.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 -176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.537 ' HG2' ' HG3' ' A' ' 73' ' ' LYS . 52.4 mt-10 -106.66 97.09 6.93 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -103.34 161.29 13.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.614 -170.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -111.13 114.51 27.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.548 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 82.9 mt -103.43 121.99 43.95 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.27 154.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.211 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.505 ' HB2' ' CB ' ' A' ' 122' ' ' PHE . 13.5 t60 -62.69 102.1 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.273 176.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 p -113.2 111.74 22.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.515 0.674 . . . . 0.0 111.158 174.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -104.41 132.68 50.39 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.79 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 72.29 9.94 73.54 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.175 -176.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -140.14 129.12 23.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 110.405 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -82.68 116.24 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -87.04 86.08 7.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.218 0.533 . . . . 0.0 109.743 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.99 96.44 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.862 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 64' ' ' ILE . 8.6 tp10 -92.14 120.46 32.75 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -101.29 99.44 9.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.281 0.562 . . . . 0.0 109.791 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 58.8 mt -86.37 106.75 15.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.795 -176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.17 102.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -144.48 153.05 41.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -115.35 126.02 53.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.151 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.68 131.8 2.46 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.195 -1.003 . . . . 0.0 112.819 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.9 m -90.65 108.44 19.81 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.47 52.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 111.713 -173.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.6 p -108.09 -27.69 9.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.557 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 72.3 m-85 -133.76 128.11 34.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.078 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.407 HD11 HD13 ' A' ' 59' ' ' ILE . 50.3 mt -114.76 129.82 56.75 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.557 ' HB3' ' HB2' ' A' ' 75' ' ' GLU . 64.3 ttt180 -110.85 110.12 20.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.639 -177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.497 ' HD2' HD11 ' A' ' 72' ' ' LEU . 45.3 m-85 -96.6 111.32 23.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.319 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 48.4 mt -114.23 102.12 13.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.803 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.6 mt -81.74 94.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 48.1 t -58.59 -44.24 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 -175.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 45' ' ' PHE . 12.1 t -159.06 179.35 9.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.251 178.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . . . -142.16 158.09 44.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.505 ' CB ' ' HB2' ' A' ' 95' ' ' HIS . 63.0 m-85 -74.66 -8.75 57.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.106 178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -135.6 162.84 31.58 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -64.52 -29.14 70.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.702 0.287 . . . . 0.0 111.304 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -112.35 136.84 51.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.218 0.532 . . . . 0.0 111.281 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.95 119.39 20.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.9 m -120.15 121.46 38.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.67 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 30' ' ' ILE . 3.4 p -84.83 116.62 28.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 171.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -97.55 -28.05 14.13 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.191 -172.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -169.09 120.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.1 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 16.6 m -128.61 144.06 39.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 171.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.402 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 33.1 m -150.51 144.1 25.13 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.574 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -105.81 123.49 48.03 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -104.6 147.48 27.59 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.055 0.455 . . . . 0.0 110.473 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.69 -141.97 9.17 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.625 HG23 ' HA ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -149.79 144.35 25.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.856 0.36 . . . . 0.0 111.88 -178.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.553 HG11 ' HB2' ' A' ' 140' ' ' ASN . 21.7 t -79.43 129.02 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.132 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 39.9 t -94.78 -37.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.26 0.553 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 14.6 m -140.29 114.23 8.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.772 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.553 ' HB2' HG11 ' A' ' 137' ' ' VAL . 61.6 t30 -116.17 158.18 23.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 -176.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.53 HD22 ' H ' ' A' ' 141' ' ' LEU . 2.0 mm? -73.78 -56.95 4.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.98 0.419 . . . . 0.0 110.03 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.7 p -73.58 103.31 4.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.18 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.41 -177.786 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' SD ' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.441 HH21 ' CD ' ' A' ' 60' ' ' GLU . 37.5 ttt180 -62.7 -20.2 64.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.856 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 6.9 pttp -128.28 81.14 2.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.155 0.978 . . . . 0.0 111.031 175.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 135' ' ' GLY . 6.5 tt -95.28 145.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.359 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.37 96.08 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.453 0.644 . . . . 0.0 110.535 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 133' ' ' ALA . 16.9 mt -84.52 11.07 9.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.174 -173.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 132' ' ' SER . 23.6 p -91.83 -10.01 41.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 98.6 mt -68.3 137.23 54.52 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.379 0.609 . . . . 0.0 111.682 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.644 ' HB3' HD12 ' A' ' 31' ' ' ILE . 11.6 p -63.98 -21.95 66.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.403 171.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -74.87 -12.07 60.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.163 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -95.44 1.53 54.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.119 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.43 25.94 45.24 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.657 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 19.9 m -98.11 117.38 32.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.824 0.345 . . . . 0.0 110.143 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -103.38 144.44 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.787 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.608 HG12 HG12 ' A' ' 51' ' ' ILE . 14.7 m -89.95 133.27 32.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.814 172.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 17' ' ' LEU . 14.2 tt -131.3 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' N ' HG12 ' A' ' 16' ' ' ILE . 7.0 tp 72.24 -87.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.226 0.61 . . . . 0.0 110.219 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 17' ' ' LEU . . . 52.75 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.819 0.699 . . . . 0.0 111.846 -178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -57.86 -26.9 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.5 t -151.94 95.38 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 110.31 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.6 t -94.37 109.23 21.09 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' A' ' 25' ' ' HIS . 15.5 t70 -95.99 149.27 21.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.104 -177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -59.1 -41.12 87.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.663 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -107.68 3.81 25.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.437 0.637 . . . . 0.0 110.605 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 22' ' ' ASP . 56.6 m-70 -132.87 72.68 76.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 96.1 Cg_endo -95.38 149.64 1.53 Allowed 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.99 2.46 . . . . 0.0 113.452 -173.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 5.3 Cg_exo -75.92 1.88 7.68 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.198 2.599 . . . . 0.0 111.986 176.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -64.62 -37.87 89.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.822 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -80.76 2.0 28.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 0.0 111.801 -176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 129' ' ' HIS . 68.2 mt -79.62 -27.74 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.876 176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 9' ' ' SER . 17.4 pt -108.98 -4.92 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.266 -175.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 34' ' ' ASN . 2.0 p-10 -97.66 -26.15 14.86 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.504 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.39 15.18 81.34 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.914 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 87.4 m-20 -95.12 140.87 22.6 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.619 0.21 . . . . 0.0 110.756 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 34' ' ' ASN . 9.1 Cg_exo -72.91 19.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.458 2.772 . . . . 0.0 112.808 179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ASN . 8.2 tp10 -61.75 -68.65 0.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 110.812 -179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 38' ' ' PHE . 5.1 m -138.8 176.85 8.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.437 -178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.637 ' H ' HG22 ' A' ' 37' ' ' THR . 43.3 p90 -141.37 155.43 45.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.704 0.288 . . . . 0.0 110.307 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.521 ' HE3' HG12 ' A' ' 128' ' ' VAL . 61.9 t90 -90.8 109.88 21.08 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 11.4 t -109.24 144.46 37.33 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.477 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 8.8 p -76.36 146.24 38.91 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.024 -176.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -8.79 57.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.551 -177.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.39 15.88 28.74 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.117 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.2 ttt -105.72 74.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.99 144.39 92.9 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.02 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.647 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 87.9 Cg_endo -88.47 152.19 33.62 Favored 'Cis proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.79 -0.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 53.0 mt-30 -128.5 131.33 48.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.33 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -126.5 166.47 17.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.55 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -155.49 150.8 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.651 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.417 ' HB ' HG23 ' A' ' 16' ' ' ILE . 62.5 mt -118.19 137.67 51.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.654 0.264 . . . . 0.0 110.378 -176.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 HG12 ' A' ' 15' ' ' VAL . 64.6 mt -121.13 130.89 74.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 13' ' ' SER . 17.0 p -108.55 124.02 49.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.56 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HE2' ' HG ' ' A' ' 114' ' ' LEU . 96.3 m-85 -75.04 -16.6 60.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.551 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 72.73 2.03 4.21 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.101 176.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -159.7 168.84 25.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.917 -177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -84.86 108.14 17.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 110.224 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.8 m -114.59 151.0 16.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.737 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.524 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 30.0 ttm180 -99.23 114.88 27.92 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.0 mt -89.59 125.06 42.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.153 0.502 . . . . 0.0 110.043 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' CD ' HH21 ' A' ' 2' ' ' ARG . 3.4 tp10 -102.15 -36.03 8.68 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.887 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.748 ' HD2' ' HB3' ' A' ' 104' ' ' GLU . 45.7 ttp180 -163.39 149.57 11.87 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.331 -176.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp -117.37 121.53 41.35 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.85 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 132' ' ' SER . 87.3 t -91.36 100.33 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.582 HG23 HG12 ' A' ' 131' ' ' VAL . 31.0 mm -94.27 109.98 22.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.433 -175.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.619 ' HG2' ' HB3' ' A' ' 102' ' ' ASN . 44.8 mt-30 -95.79 102.16 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.852 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 m -144.4 166.33 25.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.072 0.463 . . . . 0.0 111.002 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -135.32 117.2 15.17 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HD1' ' HB2' ' A' ' 122' ' ' PHE . 30.3 m-85 57.45 87.16 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.89 0.744 . . . . 0.0 112.793 -176.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 70' ' ' GLN . 1.4 t -118.67 -165.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.611 ' H ' HG12 ' A' ' 69' ' ' VAL . 43.1 tt0 -163.37 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.44 ' HB ' ' HB ' ' A' ' 119' ' ' VAL . 16.6 m -85.25 94.26 8.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.427 0.632 . . . . 0.0 109.988 -176.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD11 ' HD2' ' A' ' 116' ' ' PHE . 15.7 tp -101.71 112.92 25.67 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.751 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 90' ' ' GLU . 62.1 tttm -99.45 109.47 22.03 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.75 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.6 mt -97.6 113.62 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.95 0.405 . . . . 0.0 110.998 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.563 ' CB ' ' HB3' ' A' ' 115' ' ' ARG . 0.7 OUTLIER -95.77 142.44 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.864 177.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG3' ' HB2' ' A' ' 111' ' ' ALA . 34.4 ttpt -125.83 139.82 53.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.508 -177.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . 22.8 t -141.42 143.85 34.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.862 0.363 . . . . 0.0 110.358 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -110.68 14.44 22.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.563 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.1 t -84.6 167.84 15.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.393 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' HE2' HD11 ' A' ' 141' ' ' LEU . 8.2 mtpm? -87.09 -14.47 41.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 109.943 176.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -98.17 150.18 36.48 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.995 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -82.08 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.586 2.191 . . . . 0.0 112.431 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -136.98 160.85 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.464 -177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.8 t70 64.43 101.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 124.135 0.897 . . . . 0.0 111.282 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 77' ' ' SER . 94.4 m-85 -127.24 144.43 51.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.369 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -78.48 119.46 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.201 0.524 . . . . 0.0 109.653 177.015 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -97.55 -69.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.643 HG22 ' HD3' ' A' ' 91' ' ' LYS . 4.6 mt -137.63 97.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.977 -178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.747 ' HB3' ' HG3' ' A' ' 73' ' ' LYS . 9.0 pt-20 -104.9 108.39 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 174.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.643 ' HD3' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -155.44 160.56 40.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.719 -173.327 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.579 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 6.2 p-10 -118.24 95.99 5.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.654 0.74 . . . . 0.0 110.926 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.407 ' HG ' ' CG ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER -126.15 94.08 3.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.884 178.418 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.539 HG21 ' C ' ' A' ' 69' ' ' VAL . 59.5 t -136.72 98.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.139 0.495 . . . . 0.0 111.235 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 95' ' ' HIS . 0.3 OUTLIER -111.87 90.78 3.43 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.135 171.218 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.472 HG22 ' HB2' ' A' ' 101' ' ' GLN . 50.8 p -131.87 109.23 9.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.15 100.47 10.06 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.732 168.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.11 36.83 62.13 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.519 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -140.14 136.41 33.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.998 0.399 . . . . 0.0 111.658 -169.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.3 tp -82.94 101.84 11.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 172.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.472 ' HB2' HG22 ' A' ' 96' ' ' THR . 26.1 tp60 -95.48 110.24 22.33 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 0.0 111.173 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.619 ' HB3' ' HG2' ' A' ' 65' ' ' GLN . 0.9 OUTLIER -94.93 99.7 11.69 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 166.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.1 135.12 34.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.593 -169.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 43.5 mt-10 -94.62 99.61 11.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.72 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.2 mt -87.57 103.83 13.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.884 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.16 96.49 2.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.043 0.449 . . . . 0.0 110.13 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -138.69 138.41 37.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -98.93 125.86 44.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.387 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.17 136.47 4.15 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.924 176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.2 p -92.65 132.86 36.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . . . -154.42 158.64 40.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.191 0.519 . . . . 0.0 112.098 -176.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.2 p -117.78 -34.25 4.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.515 172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -126.03 128.27 47.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.164 177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.505 ' HG ' ' HE2' ' A' ' 53' ' ' PHE . 28.2 mt -114.82 130.96 56.96 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 173.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.563 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 63.3 ttt180 -113.49 104.72 12.55 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' HD2' HD11 ' A' ' 72' ' ' LEU . 56.8 m-85 -90.62 103.88 16.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.781 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.589 ' HB ' ' HB3' ' A' ' 73' ' ' LYS . 45.4 mt -99.81 106.45 19.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.291 178.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.3 mt -90.49 101.1 12.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.647 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 47.4 t -73.14 -57.26 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.589 -176.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -138.16 167.23 22.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.05 -177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.84 160.23 40.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' HD1' ' A' ' 68' ' ' PHE . 3.6 m-30 -60.38 -30.04 69.32 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.992 0.425 . . . . 0.0 110.796 177.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -122.65 -175.7 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.828 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -80.55 -22.32 40.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.849 0.356 . . . . 0.0 110.451 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.27 122.33 44.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.981 0.42 . . . . 0.0 110.839 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.06 116.79 32.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 14.9 m -112.12 137.08 50.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.894 -175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 39' ' ' TRP . 14.7 p -126.91 139.75 50.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 0.0 110.117 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 16.6 t-80 -97.84 -56.62 2.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 178.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.415 ' HB3' ' NE2' ' A' ' 65' ' ' GLN . 47.5 t -164.55 127.89 2.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.716 -177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.582 HG12 HG23 ' A' ' 64' ' ' ILE . 7.0 m -98.28 101.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.332 0.587 . . . . 0.0 109.441 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.604 ' HB2' ' HB ' ' A' ' 63' ' ' VAL . 48.9 m -90.64 132.35 35.81 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.589 -172.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . . . -105.53 114.39 28.53 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 3' ' ' LYS . 46.6 mt-10 -93.98 130.76 39.97 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 167.59 -162.16 35.95 Favored Glycine 0 N--CA 1.433 -1.536 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.18 148.74 48.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 117.17 0.485 . . . . 0.0 109.969 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.51 134.99 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.2 t -90.34 -51.17 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.496 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.1 t -152.43 126.18 8.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -80.13 127.39 32.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.472 HD11 ' HE2' ' A' ' 80' ' ' LYS . 7.7 tt -79.26 92.84 5.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.428 0.632 . . . . 0.0 109.833 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 p -102.21 19.29 18.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.302 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.312 179.256 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.627 ' HG3' ' H ' ' A' ' 3' ' ' LYS . 22.4 ptp . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.545 ' HA ' ' CG2' ' A' ' 136' ' ' THR . 7.8 ptm180 -80.05 0.64 30.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.616 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' H ' ' HG3' ' A' ' 1' ' ' MET . 27.5 mtpp -125.28 105.61 9.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.07 0.462 . . . . 0.0 110.375 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 134' ' ' GLU . 10.4 tt -155.45 131.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.404 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 132' ' ' SER . 19.7 m-20 -74.62 98.04 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.402 0.62 . . . . 0.0 109.992 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 50.0 mt -79.84 -1.31 38.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.886 -171.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.514 ' HB2' ' HA ' ' A' ' 132' ' ' SER . 99.3 m -91.8 -3.48 56.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.669 0.271 . . . . 0.0 111.276 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.655 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 63.1 mt -68.64 148.03 51.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.231 0.539 . . . . 0.0 111.886 -176.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -62.51 -25.15 67.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.667 172.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.0 m -69.85 -20.41 63.42 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.423 0.63 . . . . 0.0 110.025 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 29.3 mm-40 -90.41 -3.89 57.39 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.936 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.62 4.9 82.47 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.8 m -83.61 119.6 24.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' HD13 ' A' ' 31' ' ' ILE . 45.5 mt-10 -110.13 155.2 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.54 -176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 p -93.79 137.31 23.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.868 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.556 HG23 ' HB ' ' A' ' 50' ' ' ILE . 7.1 tt -141.56 131.16 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.542 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 69.78 100.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.604 175.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.81 131.43 46.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.245 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.646 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 18.5 m -72.09 -34.62 68.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.0 0.429 . . . . 0.0 111.043 -176.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -113.76 131.19 56.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.927 0.394 . . . . 0.0 110.429 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.7 m -145.02 136.92 25.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -125.68 148.45 49.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.122 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.81 -25.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 111.177 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -94.52 -23.18 17.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.417 0.627 . . . . 0.0 109.683 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -124.15 78.06 59.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.195 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 5.9 Cg_exo -77.73 129.35 9.93 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.985 2.457 . . . . 0.0 112.705 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 11.1 Cg_exo -70.88 -5.8 17.71 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.185 2.59 . . . . 0.0 111.844 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.04 -29.71 65.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.149 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.649 ' HB2' HG21 ' A' ' 37' ' ' THR . 47.7 m-80 -95.7 1.78 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.899 -174.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.6 tt -63.7 -28.59 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.153 0.502 . . . . 0.0 110.695 -176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 20.3 pt -86.6 -16.75 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.908 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.88 -20.08 39.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.724 -178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.1 47.04 86.07 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.237 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -90.36 117.32 67.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.22 . . . . 0.0 110.476 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.13 -16.56 55.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.872 2.381 . . . . 0.0 112.752 -178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -88.12 -2.44 58.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 29' ' ' ASN . 38.5 m -117.95 115.67 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -120.45 126.83 51.41 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.713 174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.565 ' HE3' HG12 ' A' ' 128' ' ' VAL . 72.3 t90 -97.02 132.35 42.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.162 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 t -127.13 156.04 42.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.621 -176.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.563 HG22 HE21 ' A' ' 47' ' ' GLN . 62.3 p -84.29 149.46 26.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 p -91.4 16.63 9.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.045 0.45 . . . . 0.0 111.023 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.12 -1.76 88.43 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.261 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.1 ttt -92.33 95.7 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.936 0.398 . . . . 0.0 110.972 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.434 ' HA ' ' C ' ' A' ' 46' ' ' PRO . 97.3 m-85 -106.82 154.79 39.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.666 176.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 45' ' ' PHE . 43.5 Cg_endo -68.07 154.64 88.13 Favored 'Cis proline' 0 C--N 1.346 0.398 0 C-N-CA 123.814 -1.328 . . . . 0.0 112.897 1.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.646 ' OE1' ' HB ' ' A' ' 19' ' ' THR . 6.8 tp-100 -110.44 111.98 23.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.304 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 116' ' ' PHE . 12.5 pt-20 -118.19 140.04 50.39 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.965 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 41.5 p90 -150.09 139.62 21.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.562 172.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.556 ' HB ' HG23 ' A' ' 16' ' ' ILE . 53.5 mt -109.56 134.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 111.048 -175.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.6 mt -113.77 121.66 66.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 172.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 p -110.77 118.78 37.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.961 0.41 . . . . 0.0 111.465 -175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -72.13 -27.39 62.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.532 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 68.56 6.44 5.44 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.442 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.92 ' HB2' ' HA ' ' A' ' 140' ' ' ASN . 58.8 pttt -150.1 173.72 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.864 0.364 . . . . 0.0 111.251 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -90.03 105.62 17.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.701 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 ' HB ' HD13 ' A' ' 6' ' ' LEU . 26.7 m -124.66 142.57 41.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.632 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -102.95 115.73 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 93.3 mt -89.73 136.79 22.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.034 -175.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HG2' ' CE1' ' A' ' 108' ' ' HIS . 5.8 tm-20 -113.73 -30.9 6.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD3' ' CD ' ' A' ' 104' ' ' GLU . 5.1 ttm180 -154.7 146.78 23.66 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.929 -172.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 79.1 mt -113.37 126.51 55.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.8 t -104.8 98.55 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.695 HG23 HG22 ' A' ' 131' ' ' VAL . 14.4 mt -116.63 121.74 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.288 0.566 . . . . 0.0 111.52 -174.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' OE1' HD11 ' A' ' 100' ' ' LEU . 8.8 tt0 -111.68 102.36 10.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.951 177.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.889 ' HB3' HG23 ' A' ' 128' ' ' VAL . 29.9 p -160.27 147.51 16.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.394 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.653 ' HE2' HD22 ' A' ' 100' ' ' LEU . 2.1 m-85 -125.78 158.95 33.64 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.664 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.616 ' HA ' ' HD2' ' A' ' 122' ' ' PHE . 66.5 m-85 72.37 -2.68 2.52 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 114.999 -1.0 . . . . 0.0 112.202 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.44 127.43 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 92' ' ' ASP . 58.3 tt0 -104.09 -72.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.785 0.326 . . . . 0.0 111.046 -176.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 103.1 12.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 111.045 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 116' ' ' PHE . 36.3 tp -117.37 102.12 8.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.737 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.65 ' HG3' ' HB ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -89.95 120.54 31.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.121 0.486 . . . . 0.0 109.741 179.006 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 HG13 ' A' ' 89' ' ' ILE . 26.5 mt -93.26 117.34 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.912 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' CD ' ' HB3' ' A' ' 85' ' ' PHE . 29.5 tt0 -111.6 135.97 51.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.105 -178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 9.1 ptpp? -106.76 153.77 21.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.956 0.408 . . . . 0.0 111.503 -172.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.774 ' HB3' ' HB2' ' A' ' 113' ' ' TYR . 40.3 t -143.16 142.15 31.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 169.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 21.34 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.393 0.616 . . . . 0.0 110.165 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.3 t -92.28 179.98 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.8 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' HG3' ' OE2' ' A' ' 81' ' ' GLU . 11.8 ptmm? -95.01 -14.6 24.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.169 0.509 . . . . 0.0 110.224 176.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' ' HG3' ' A' ' 80' ' ' LYS . 10.2 mp0 -102.71 156.0 35.84 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.582 173.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -74.28 46.24 1.34 Allowed 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 122.72 2.28 . . . . 0.0 112.192 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.73 -177.99 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.177 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 55.39 77.14 0.23 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.485 0.659 . . . . 0.0 110.311 -178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.479 ' HB3' ' CD ' ' A' ' 75' ' ' GLU . 25.3 m-85 -106.51 131.54 53.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.362 -176.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 33.7 tt0 -119.46 119.33 33.56 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.128 176.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -57.16 132.17 52.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.413 . . . . 0.0 110.426 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -102.4 -71.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.703 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.75 HG13 HD12 ' A' ' 74' ' ' ILE . 4.7 pt -144.47 125.05 8.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.707 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 42.9 tt0 -94.88 109.11 21.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.704 ' HG3' HD13 ' A' ' 105' ' ' ILE . 19.5 mmmt -100.57 119.22 38.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.319 -175.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 9.1 p-10 -95.61 112.49 24.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.883 172.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.83 144.26 30.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.673 -175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -91.81 148.17 4.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.33 134.55 34.81 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.936 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.83 123.05 39.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.512 168.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -100.82 121.18 41.25 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.913 -171.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.25 -27.58 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.121 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -100.38 135.54 41.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.653 HD22 ' HE2' ' A' ' 67' ' ' TYR . 2.4 tm? -100.99 112.8 25.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.83 0.347 . . . . 0.0 110.099 -178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -129.21 145.33 51.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.589 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -99.71 142.01 31.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -92.3 110.56 21.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.191 0.519 . . . . 0.0 109.776 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' CD ' ' HD3' ' A' ' 61' ' ' ARG . 34.9 tt0 -88.24 108.56 19.37 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.624 176.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' HG3' ' A' ' 91' ' ' LYS . 61.9 mt -102.51 109.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.886 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.24 106.59 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.456 0.646 . . . . 0.0 110.077 176.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.22 109.54 6.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.461 -171.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.57 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 15.6 m-70 -103.28 110.21 22.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.173 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.22 157.69 30.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.741 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.9 m -104.56 123.39 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.95 149.0 32.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.911 0.386 . . . . 0.0 111.098 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.5 p -106.13 -30.25 9.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.889 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 77' ' ' SER . 48.3 m-85 -127.38 129.39 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.65 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.3 mt -122.03 120.01 33.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.575 0.226 . . . . 0.0 110.567 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -106.76 117.48 34.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.935 0.398 . . . . 0.0 110.451 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 72' ' ' LEU . 86.8 m-85 -89.79 117.05 28.35 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.653 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.65 ' HB ' ' HG3' ' A' ' 73' ' ' LYS . 55.9 mt -113.78 102.1 13.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.892 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 47' ' ' GLN . 58.8 mt -86.08 111.58 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 41.5 t -77.54 -54.66 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.027 0.441 . . . . 0.0 110.39 -177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -139.02 163.96 31.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 68' ' ' PHE . . . -129.89 170.73 13.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.203 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' ' 68' ' ' PHE . 70.4 m-85 -67.52 -38.39 84.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.191 0.519 . . . . 0.0 109.631 176.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -120.54 -172.37 2.36 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -93.4 -7.14 45.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.072 0.463 . . . . 0.0 110.294 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.65 122.18 34.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.491 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.48 155.76 34.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.952 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.7 m -142.85 141.15 31.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.889 HG23 ' HB3' ' A' ' 66' ' ' SER . 7.7 p -116.97 141.74 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -106.53 -32.69 7.96 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.877 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -168.19 136.5 2.29 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.778 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.695 HG22 HG23 ' A' ' 64' ' ' ILE . 82.4 t -134.81 113.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.514 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 48.8 p -130.54 151.33 51.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.893 0.377 . . . . 0.0 110.989 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -115.88 116.69 28.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.531 ' HA ' ' O ' ' A' ' 4' ' ' ILE . 38.2 mt-10 -94.09 153.3 18.2 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.212 0.529 . . . . 0.0 110.546 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 156.25 -139.34 6.49 Favored Glycine 0 N--CA 1.437 -1.25 0 N-CA-C 110.319 -1.113 . . . . 0.0 110.319 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.545 ' CG2' ' HA ' ' A' ' 2' ' ' ARG . 18.3 p -142.16 126.8 17.96 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.961 0.41 . . . . 0.0 111.055 -178.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.37 131.85 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.972 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 46.3 t -95.21 -52.16 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.977 0.418 . . . . 0.0 110.554 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.2 m -154.66 169.45 23.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.92 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 3.2 m-20 -96.88 -88.66 0.29 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.909 0.385 . . . . 0.0 110.8 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.76 176.56 5.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.921 0.391 . . . . 0.0 110.786 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 23.0 t -145.62 103.6 3.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.543 -0.742 . . . . 0.0 110.507 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.422 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 16.0 ptt180 -80.77 20.44 0.75 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -177.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -138.87 132.8 31.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.328 0.585 . . . . 0.0 110.895 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.454 HG23 ' HG ' ' A' ' 6' ' ' LEU . 8.6 tt -155.56 150.36 11.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.94 86.33 2.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 110.352 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 45.1 mt -77.0 -4.13 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.076 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 132' ' ' SER . 20.1 t -94.61 -3.11 50.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 71.3 mt -73.53 142.98 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.113 0.483 . . . . 0.0 110.891 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB2' HD12 ' A' ' 31' ' ' ILE . 15.7 t -64.28 -25.27 67.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.4 p -81.42 -11.38 59.27 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.279 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 175.036 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.42 25.51 7.33 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.268 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 16.9 m -126.01 120.31 29.96 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.53 164.61 15.04 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.318 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.489 HG12 HG12 ' A' ' 51' ' ' ILE . 20.9 m -89.96 134.39 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.28 0.562 . . . . 0.0 110.319 175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.487 HG23 ' HB ' ' A' ' 50' ' ' ILE . 10.2 tt -129.94 133.55 64.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.144 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 3.8 tt 65.65 91.77 0.08 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.26 133.27 56.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.792 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 47' ' ' GLN . 30.9 m -62.07 -41.9 98.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.444 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -128.48 139.67 52.21 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 110.694 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -149.0 135.46 19.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.728 177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -121.75 158.98 27.61 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -86.39 -20.22 28.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.229 0.538 . . . . 0.0 109.996 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -88.17 -20.98 24.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.708 175.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -131.32 84.79 55.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.482 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.498 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.5 Cg_endo -85.01 140.33 7.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.081 2.521 . . . . 0.0 112.548 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 32.1 Cg_exo -60.99 -14.7 34.55 Favored 'Trans proline' 0 CA--C 1.534 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.31 -178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.97 -31.45 65.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.006 0.431 . . . . 0.0 110.36 174.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -55.93 -43.37 77.32 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.421 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.9 mt -64.64 -54.91 24.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.616 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.3 pt -84.74 -5.97 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -98.32 -18.86 18.11 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.575 173.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 49.14 6.39 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.607 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.513 ' N ' HD22 ' A' ' 34' ' ' ASN . 0.8 OUTLIER -95.48 120.56 63.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.686 0.279 . . . . 0.0 110.759 -177.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.676 ' HA ' ' CE1' ' A' ' 129' ' ' HIS . 5.7 Cg_exo -80.59 17.3 1.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.994 2.463 . . . . 0.0 112.421 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -81.62 -70.18 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -109.93 -170.71 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.33 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -143.86 153.19 42.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.438 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.59 ' HE3' HG12 ' A' ' 128' ' ' VAL . 88.9 t90 -92.16 121.98 34.21 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 t -122.16 157.32 31.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.997 0.427 . . . . 0.0 110.839 -174.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.759 HG22 ' HG3' ' A' ' 47' ' ' GLN . 39.4 p -78.53 136.17 37.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.598 -177.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 p -78.0 -8.01 57.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.699 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.48 -14.64 35.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.815 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 16.2 tpt -91.29 104.42 16.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.695 0.283 . . . . 0.0 110.279 179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -95.75 156.31 37.49 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.421 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.815 ' HB3' ' HA ' ' A' ' 119' ' ' VAL . 2.0 Cg_endo -82.92 171.5 52.15 Favored 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.6 -1.417 . . . . 0.0 112.003 -1.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.759 ' HG3' HG22 ' A' ' 41' ' ' THR . 83.1 mm-40 -107.03 111.3 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.225 178.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -116.0 136.37 53.09 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 120.932 0.396 . . . . 0.0 110.422 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.586 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 35.6 p90 -149.86 133.83 17.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.066 175.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.487 ' HB ' HG23 ' A' ' 16' ' ' ILE . 57.0 mt -100.13 142.07 16.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.021 -177.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.489 HG12 HG12 ' A' ' 15' ' ' VAL . 36.3 mt -117.59 118.98 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 13' ' ' SER . 7.6 p -101.35 119.84 39.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.161 -175.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.699 ' HE2' ' HB2' ' A' ' 114' ' ' LEU . 88.0 m-85 -85.2 -20.43 30.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 72.53 -17.15 0.4 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.142 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -136.91 -179.82 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.753 0.311 . . . . 0.0 110.993 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -88.16 108.56 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.45 ' HB ' HD13 ' A' ' 6' ' ' LEU . 28.8 m -114.76 143.74 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.156 0.503 . . . . 0.0 111.371 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.653 ' O ' ' HA3' ' A' ' 135' ' ' GLY . 3.0 tpt180 -92.56 105.76 17.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 176.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.668 ' O ' ' HA ' ' A' ' 108' ' ' HIS . 69.1 mt -89.91 129.29 41.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' OE1' ' HD2' ' A' ' 2' ' ' ARG . 20.3 tt0 -123.57 -35.54 2.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.845 0.355 . . . . 0.0 110.577 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -140.16 148.17 41.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.461 173.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.622 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 5.8 mp -112.68 116.42 30.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.975 175.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.3 t -91.26 110.72 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.935 0.397 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 mm -112.2 110.39 32.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.321 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -105.84 102.23 11.69 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.509 ' HB3' HG23 ' A' ' 128' ' ' VAL . 14.9 p -154.38 177.36 11.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.92 -177.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.686 ' HD2' HD23 ' A' ' 100' ' ' LEU . 2.4 t80 -129.22 145.86 51.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.784 -179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 67.56 -100.92 0.06 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.334 0.653 . . . . 0.0 111.592 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.885 HG12 ' H ' ' A' ' 70' ' ' GLN . 3.1 t 55.89 -168.77 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.849 -174.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.885 ' H ' HG12 ' A' ' 69' ' ' VAL . 6.4 tt0 -170.11 -71.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 171.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -109.62 102.99 11.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.146 0.498 . . . . 0.0 111.361 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.9 tp -114.16 109.86 19.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.463 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.624 ' HE3' HD12 ' A' ' 117' ' ' ILE . 41.2 pttt -102.14 142.63 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.991 0.424 . . . . 0.0 109.943 176.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.937 HD12 HG13 ' A' ' 89' ' ' ILE . 39.9 mt -113.45 119.77 61.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.852 -176.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.986 ' HB3' ' HB3' ' A' ' 85' ' ' PHE . 51.0 mt-10 -105.94 132.59 51.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.504 178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -114.53 143.73 44.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.208 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -143.05 141.79 31.39 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 171.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.5 p -107.81 11.43 28.19 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.908 0.385 . . . . 0.0 111.394 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.4 p -86.73 178.68 6.95 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.761 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.28 7.21 46.56 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.955 0.883 . . . . 0.0 108.918 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.496 ' HB2' HG22 ' A' ' 83' ' ' VAL . 24.3 mt-10 -119.28 156.47 52.79 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.527 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.86 42.87 1.37 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.651 2.234 . . . . 0.0 112.191 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 81' ' ' GLU . 26.7 m -126.17 148.18 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 111.726 -175.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t70 58.36 92.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.026 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.986 ' HB3' ' HB3' ' A' ' 75' ' ' GLU . 79.2 m-85 -113.78 122.07 45.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.274 178.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.58 134.09 36.22 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.483 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -68.67 106.55 2.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.357 0.599 . . . . 0.0 110.094 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -75.79 -67.83 0.63 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.104 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.937 HG13 HD12 ' A' ' 74' ' ' ILE . 5.1 pt -140.93 143.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.781 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -117.91 111.69 19.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -114.03 120.38 40.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.258 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 70' ' ' GLN . 4.7 p-10 -97.89 132.76 43.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.77 145.01 25.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.229 -172.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -93.33 122.44 44.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -62.85 139.93 58.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.453 -176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 99' ' ' GLN . 2.2 p -117.81 112.6 20.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 172.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -83.73 103.23 12.86 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.986 -173.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.37 -1.54 53.82 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.189 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.654 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 23.0 mt-30 -122.26 118.53 28.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.142 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.686 HD23 ' HD2' ' A' ' 67' ' ' TYR . 3.5 tm? -89.0 116.6 27.41 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 173.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -107.28 141.07 39.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.44 0.638 . . . . 0.0 112.139 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -102.43 102.22 12.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 165.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -92.23 143.06 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.035 0.445 . . . . 0.0 111.233 -170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.76 108.46 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.351 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' ' 62' ' ' LEU . 70.2 mt -91.57 113.04 26.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.994 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.99 105.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.345 0.593 . . . . 0.0 111.197 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.13 120.78 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.908 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.668 ' HA ' ' O ' ' A' ' 59' ' ' ILE . 17.4 p80 -107.82 121.97 45.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.368 0.604 . . . . 0.0 110.758 -177.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.0 -174.09 35.89 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.651 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.2 m -126.19 129.32 48.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.56 121.31 9.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.181 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.2 m -78.03 -31.8 50.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.729 0.776 . . . . 0.0 109.13 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -124.45 124.63 42.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.274 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.699 ' HB2' ' HE2' ' A' ' 53' ' ' PHE . 1.8 tm? -114.7 108.99 17.53 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -106.39 112.88 26.08 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.077 0.465 . . . . 0.0 111.586 -171.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -90.77 134.34 34.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.36 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.624 HD12 ' HE3' ' A' ' 73' ' ' LYS . 58.6 mt -130.68 106.44 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.203 0.525 . . . . 0.0 111.137 176.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.4 101.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.815 ' HA ' ' HB3' ' A' ' 46' ' ' PRO . 45.7 t -67.8 -49.87 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.616 -175.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.6 t -154.33 169.13 24.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.843 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -135.38 163.12 30.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.001 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -64.28 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.255 0.55 . . . . 0.0 110.284 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.87 170.85 7.66 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -79.98 -16.28 55.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.09 0.471 . . . . 0.0 110.158 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -118.29 122.42 42.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.324 0.583 . . . . 0.0 110.949 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.68 148.1 38.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.025 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -141.48 133.77 28.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.848 0.356 . . . . 0.0 111.117 -177.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.59 HG12 ' HE3' ' A' ' 39' ' ' TRP . 9.6 p -113.49 148.87 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.494 177.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.676 ' CE1' ' HA ' ' A' ' 35' ' ' PRO . 1.9 t-80 -106.31 -46.17 4.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.924 0.392 . . . . 0.0 110.349 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.4 t -171.05 152.71 3.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.77 146.73 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' A' ' 7' ' ' CYS . 64.7 m -136.44 145.04 44.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.657 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -107.27 117.18 33.39 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -93.93 135.3 35.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 58' ' ' ARG . . . 163.59 -147.81 13.72 Favored Glycine 0 N--CA 1.437 -1.234 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 2' ' ' ARG . 7.7 p -138.47 139.55 38.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.504 0.192 . . . . 0.0 110.604 -179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 6.3 p -67.0 120.7 14.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 0.0 110.162 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.5 t -77.94 -51.88 17.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 0.0 110.381 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.3 p -163.64 164.26 24.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.154 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -91.36 -153.6 0.33 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.87 91.99 0.48 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 171.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.0 m -81.97 94.14 7.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.681 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.754 178.741 . . . . . . . . 0 0 . 1 stop_ save_